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o-Cresol structure

o-Cresol
  • CAS：95-48-7
  • MW:108.14
  • MF：C7H8O
Disinfectant; phenolic resins; tricresyl phosphate; ore flotation; textile scouring agent;organic intermediate; manufacturing salicylaldehyde, coumarin, and herbicides; surfactant;synthetic food flavors (para isomer only); food antioxidant; dye, perfume, plastics, and resinsmanufacturing. View more+
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1. Names and Identifiers
1.1 Name
o-Cresol
1.2 Synonyms
(o-methyl)phenol; 1-Methyl-2-hydroxybenzene; 2-cresol; 2-hydroxy-1-methylbenzene; 2-hydroxyphenylmethane; 2-HYDROXYTOLUENE; 2-hydroxy-toluene; 2-METHYLPHENOL; 2-methyl-phenol; bacillol; Cresol, o-; Cresol, o-isomer; Cresol, ortho-; cresoli; cresylic acid; Cresylol; EINECS 202-423-8; FEMA 3480; hydroxytoluene; kresole; kresolen; krezol; m-cresol,p-cresol,mixture of; MFCD00002226; Monomethyl phenol; o-Cresol [UN2076] [Poison, Corrosive]; o-CRESOL pure; O-CRESYLIC ACID; O-HYDROXYTOLUENE; o-Kresol; O-METHYLPHENOL; o-Oxytoluene; ORTHO CRESO; Orthocresol; ortho-cresol; o-toluol; p-cresol,m-cresol,mixture of; Phenol, 2-methyl-; Phenol,2-methyl-; tekresol; TRICRESOL;
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1.3 CAS No.
95-48-7
1.4 CID
335
1.5 EINECS
202-423-8; 941-374-3
1.6 Molecular Formula
C7H8O
1.7 Inchi
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
1.8 InChkey
QWVGKYWNOKOFNN-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=CC=CC=C1O
1.10 Isomers Smiles
CC1=CC=CC=C1O
2. Properties
2.1 Vapour pressure
3.72
2.2 Solubility
20g/l
2.3 Viscosity
Viscosity is a measure of a fluid's resistance to flow. It describes the internal friction of a moving fluid.
2.4 VaporDensity
3.72
2.5 AnalyticLaboratory Methods
Method: OSHA 32; Procedure: high performance liquid chromatography with ultraviolet detection; Analyte: cresol (all isomers); Matrix: air; Detection Limit: 0.046 mg/cu m (0.01 ppm).
2.6 Appearance
Clear to to slightly amber liquid
2.7 AutoIgnition
1110° F (USCG, 1999)
2.8 Storage
Light Sensitive. Ambient temperatures.
2.9 Chemical Properties
colourless to light yellow liquid
2.10 Physical Properties
Colorless solid or liquid with a phenolic odor; darkens on exposure to air. An odor thresholdconcentration of 0.28 ppbv was reported by Nagata and Takeuchi (1990).
2.11 Color/Form
white to brown
2.12 Heat of Combustion
-3696 kJ/mol at 25 deg C
2.13 Heat of Vaporization
45.19 kJ/mol at 191.04 deg C
2.14 Ionization Potential
8.93 eV
2.15 Odor
Phenolic odor
2.16 Odor Threshold
5 ppm
2.17 PH
4.8 (20g/l, H2O, 20℃)
2.18 Physical
O-CRESOL; is a colorless or yellow to brown-yellow or pinkish colored liquid with a phenol;-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199°F. Causes burns to skin, eyes and mucous membranes. Insoluble in water;.
2.19 pKa
10.2(at 25℃)
2.20 Water Solubility
H2O: 20 g/L (20 oC)
2.21 Spectral Properties
Index of refraction: 1.553 at 20 deg C/D
MAX ABSORPTION (WATER): 219 NM (LOG E= 3.71); 275 NM (LOG E= 3.22)
SADTLER REFERENCE NUMBER: 844 (IR, PRISM)
Intense mass spectral peaks: 108 m/z (100%), 107 m/z (75%), 77 m/z (34%), 79 m/z (33%)
IR: 166 (Sadtler Research Laboratories IR Grating Collection)
UV: 259 (Sadtler Research Laboratories Spectral Collection)
NMR: 3153 (Sadtler Research Laboratories Spectral Collection)
MASS: 53610 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
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2.22 Stability
Stable, but light and air sensitive. Combustible. Incompatible with oxidizing agents, bases.
2.23 StorageTemp
under inert gas
2.24 Surface Tension
36.90 mN/m at 25 deg C; 34.38 mN/m at 50 deg C
2.25 Toxicity Summary
IDENTIFICATION AND USE: o-Cresol; forms crystals in liquid becoming dark with age and exposure to light and air. It has been used in explosive, petroleum, photographic, paint, and agricultural industries, as an intermediate for the production of pesticides, epoxy resins, dyes and pharmaceuticals, but also as a component of disinfectants and cleaning agents. HUMAN EXPOSURE AND TOXICITY: o-Cresol; is a respiratory irritant in humans. Eight of 10 subjects exposed to "brief exposure" to a concentrated aerosol of 6 mg/cu m o-Cresol; complained of dryness, nasal constriction, and throat irritation. Dose-dependent SCE increases were not observed in cultured human fibroblasts at concentrations up to 8 mM. There was a small but significant increase in SCE frequency compared to control at 8 mM. ANIMAL STUDIES: In an acute dermal toxicity study, technical grade o-cresol; caused severe skin damage on at least 2/6 shaved, female, albino rabbits within 4 hours of application of 890 mg/kg . o-Cresol; can cause severe local irritation and corrosion following dermal and ocular exposure. Eye irritation can be severe and include corneal opacity. All three cresols isomers are more toxic to mice than to rats when administered by gavage. o-Cresol; is the most toxic, followed by p-cresol; and then m-cresol;. The effects are similar to, but less severe than, those following phenol; exposure. Phenol;, o- and p-cresol; have about equal toxicity in cats while m-cresol; is slightly less toxic. An assortment of respiratory effects, including inflammation and irritation of the upper respiratory tract, pulmonary edema, and hemorrhage and perivascular sclerosis in the lungs were seen in animals exposed to 9-50 mg/cu m of o-cresol; 2-6 hours/day for 1 month or more. In mice exposed to a mixture of o-cresol; aerosol and vapor 2 hr/day, 6 days/week for 1 month no mortality was recorded. Clinical signs of toxicity during the daily exposure periods were limited to signs of respiratory irritation at the start of the exposure, followed by a period of hypoactivity lasting until the end of the exposure. Microscopic examination revealed signs of irritation in the respiratory tract. Other lesions included degeneration of heart muscle, liver, kidney and nerve cells and glial elements of the central nervous system. A detailed oral neurotoxicity study of intermediate duration was performed on rats using all three cresol isomers. A host of clinical observations indicative of neurotoxicity (including hypoactivity, rapid labored respiration, excessive salivation, and tremors) was reported at doses of 50 mg/kg/day or higher for all three isomers. Convulsions were reported at 450 mg/kg/day or higher. o-Cresol; appeared to lengthen the estrus cycle in treated female rats and mice. Developmental effects have been reported in animals given cresols, but only at maternally toxic doses. Maternal effects in rats dosed throughout gestation occurred at 450 mg/kg/day. At this dose o-cresol; produced slight fetotoxicity, but had no effect on malformation incidence or gestation parameters. In rabbits dosed throughout gestation, maternal effects, such as audible respiration, ocular discharge, and hypoactivity, were seen following exposure to o-cresol; at 50 mg/kg/day. At 100 mg/kg/day, o-cresol; produced fetotoxicity, but no other effects at any dose. Chromosomal aberrations were induced in Chinese hamster (CHO) cells in both the presence and absence of S9 mix, following treatment with o-cresols. Mice were given a single dermal application of 9,10-dimethyl-1,2-benzanthracene; (DMBA;), a cancer initiator, followed by application of 20% solutions of o-cresol; in benzene; twice a week for 12 weeks. Promotion with o-cresol; led to increases in the average number of skin papillomas per mouse and the percentage of exposed mice with at least one papilloma. Carcinomas were not observed following cresols exposure, although the observed papillomas have the potential to develop into carcinomas. ECOTOXICITY STUDIES: Sarotherodon mossambicus (a teleost) was exposed to a sublethal concentration of o-cresol; for 30 days and observed to show degenerative changes. LC50 value for 96 hr exposure of 23.5 mg/L. Growth studies have shown that o-cresols are moderately toxic to aquatic bacteria, cyanobacteria (blue-green algae) and protozoa. Growth inhibition thresholds were 33 mg/L for the bacterium Pseudomonas putida; 6.8 mg/L for the cyanobacterium Microcystis aeruginosa; 17 mg/L for the bacterivorous flagellate protozoan Entosiphon sulcatum and 132 mg/L for the saprozoic flagellate protozoan, Chilomonas paramecium.
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3. Use and Manufacturing
3.1 Definition
ChEBI: A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
3.2 Description

colourless to light yellow liquid Cresol is a mixture of the three isomeric cresols, o-, m-, and p-cresol. Cresols are slightly soluble in water. m-Isomer: Colorless or yellow liquid with characteristic odor. o-Cresol has a musty, phenolic aftertaste.

3.3 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 1917 companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (99.06%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P260, P264, P270, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, and P501
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3.4 Methods of Manufacturing
... Produced synthetically by the gas phase alkylation of phenol; with methanol; using modified alumina catalysis or it may be recovered from naturally occurring petroleum streams and coal tars. Most is produced synthetically. Reaction of phenol; with methanol; using modified zeolite catalysts is a concerted dehydration of the methanol; and alkylation of the aromatic ring.
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3.5 Potential Exposure
Cresol is used as a disinfectant and fumigant; as an ore flotation agent, and as an intermediate in the manufacture of chemicals, dyes, plastics, and antioxidants. A mixture of isomers is generally used; the concentrations of the components are determined by the source of the cresol.
3.6 Purification Methods
It can be freed from m-and p-isomers by repeated fractional distillation, It crystallises from *benzene by addition of pet ether. It has been fractionallly crystallised by partial freezing of its melt. The 3,5-dinitrobenzoate (prepared with 3,5-dinitrobenzoyl chloride in dry pyridine, and recrystallised from EtOH or aqueous Me2CO) has m 138o. [Beilstein 6 IV 1940.]
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3.7 Shipping
UN2076 Cresols, liquid, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 8-Corrosive material. UN3455 Cresols, solid, Hazard class: 6.1; Labels: 6.1- Poisonous materials, 8-Corrosive material.
3.8 Usage
Disinfectant; phenolic resins; tricresyl phosphate; ore flotation; textile scouring agent;organic intermediate; manufacturing salicylaldehyde, coumarin, and herbicides; surfactant;synthetic food flavors (para isomer only); food antioxidant; dye, perfume, plastics, and resinsmanufacturing.
3.9 Waste Disposal
Wastewaters may be subjected to biological treatment. Concentrations may be further reduced by ozone treatment. High concentration wastes may be destroyed in special waste incinerators. o-Cresol Preparation Products And Raw materials Raw materials
4. Safety and Handling
4.1 Octanol/Water Partition Coefficient
log Kow = 1.95
4.2 Fire Hazard
Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases. o-Cresol may burn but does not ignite readily. Container may explode in heat of fire. Slight explosion and fire hazard in the form of vapor when exposed to heat or flame. When heated to decomposition, o-Cresol emits highly toxic fumes. Reacts violently with nitric acid, oleum, and chlorosulfonic acid. Hazardous polymerization may not occur.
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4.3 Other Preventative Measures
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Neutralize spilled material with crushed limestone, soda ash, or lime.
Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing.
Eyewash and quick drench should be available.
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4.4 Cleanup Methods
Optimum conditions for removing cresol from wastewater with Lewatit MP 500 (a strong-base, large-pore, polystyrene-based anion exchange resin) were pH 6, 30 deg C, and a flow rate of 1 l/hr, and when removing cresol from 10 mg/l solutions, the capacity of the exchanger was 0.46 equiv/l.
Approach release from upwind. Control runoff and isolate discharged material for proper disposal.
Environmental considerations - Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations - Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
Environmental considerations - Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.
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4.5 DisposalMethods
[40 CFR 240-280, 300-306, 702-799 (7/1/2005)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number F004; U052; D023 must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Chemical Treatability of o-Cresol; Concentration Process: Biological Treatment; Chemical Classification: Phenols; Scale of Study: Unknown; Type of Wastewater Used: Pure (one solute in a solvent); Results of Study: 95% reduction based on chemical oxygen demand; rate of biodegradation 54 mg chemical oxygen demand/g hr. (Activated sludge process).
Chemical Treatability of o-Cresol; Concentration Process: Solvent Extraction; Chemical Classification: Phenols; Scale of Study: Laboratory Scale, continuous flow; Type of Wastewater Used: Industrial wastewater; Results of Study: 90% reduction (Extraction of evaporator condensate from spent caustic processing using isobutylene (S/W= 1.8); spray extractor used).
Chemical Treatability of o-Cresol; Concentration Process: Solvent Extraction; Chemical Classification: Phenols; Scale of Study: Laboratory Scale, continuous flow; Type of Wastewater Used: Industrial wastewater; Results of Study: 99.9% reduction (Sequential extraction of wastewater from lube-oil refining using butyl acetate (S/W= 0.30) and isobutylene (S/W= 0.101); RDC extractor used).
Cresol: A good candidate for rotary kiln incineration at temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids. /Cresols/
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4.6 DOT Emergency Guidelines
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Cresols; Cresols, liquid; Cresols, solid; Cresylic acid/
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4.7 Fire Fighting Procedures
Wear goggles & self-contained breathing apparatus.
Use water spray, dry chemical, foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
Water may be used to blanket fire.
If material on fire or involved in fire: Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors.
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4.8 FirePotential
Flammable when exposed to /SRP66: spark/ heat, flames, or oxidants.
Combustible liquid
4.9 Safety Profile
Poison by ingestion, inhalation, subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by skin contact. A severe eye and skin irritant. Human mutation data reported. Questionable carcinogen with experimental neoplastigenic data. Flammable when exposed to heat, flame, or oxidants. To fight fire, water may be used to blanket fire; foam, fog, mist, dry chemical. See also other cresol entries and PHENOL.
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4.10 Formulations/Preparations
Grades: according to freezing point: 25, 29, 30, 30.5 deg C ...
Pure cresol is a mixture of ortho-, meta- and para- isomers. Crude cresol (commercial cresol) is a mixture of aromatic cmpd containing about 20% of o-cresol, 40% of m-cresol, and 30% of p-cresol with small amount of phenol and xylenols.
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4.11 Incompatibilities
Vapors may form explosive mixture with air. Incompatible with strong acids; oxidizers, alkalies, aliphatic amines; amides, chlorosulfonic acid; oleum. Decomposes on heating, producing strong acids and bases, causing fire and explosion hazard. Liquid attacks some plastics and rubber. Attacks many metals.
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4.12 Protective Equipment and Clothing
The nose and mouth should be protected with a respirator or folded gauze, and the eyes with tight-fitting goggles. Protective clothing, including rubber (not cotton) gloves, should be worn. Clothing should be removed immediately if contaminated by spillage. All clothing worn during one spraying operation should be laundered before re-use.
The use of respirators to achieve compliance with the recommended exposure limits is permitted only: (a) during the time necessary to install or test the required engineering controls, and (b) during emergencies or during nonroutine operations, such as maintenance or repair activities, when the concentration of airborne cresol may exceed the permissible environmental limit.
In the factory it is necessary to take ... precautions in handling cresol. Rubber clothes & articles ... can ... give effective protection.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. (Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.)
Respirator Recommendations: Up to 23 ppm: (Assigned Protection Factor = 10) Any air-purifying half-mask respirator with organic vapor cartridge(s) in combination with an N95, R95, or P95 filter. The following filters may also be used: N99, R99, P99, N100, R100, P100./(Assigned Protection Factor = 10) Any supplied-air respirator.
Respirator Recommendations: Up to 57.5 ppm: (Assigned Protection Factor = 25) Any supplied-air respirator operated in a continuous-flow mode./(Assigned Protection Factor = 25) Any powered air-purifying respirator with an organic vapor cartridge in combination with a high-efficiency particulate filter.
Respirator Recommendations: Up to 115 ppm: (Assigned Protection Factor = 50) Any air-purifying full-facepiece respirator equipped with organic vapor cartridge(s) in combination with an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter./(Assigned Protection Factor = 50) Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s) in combination with a high-efficiency particulate filter. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any supplied-air respirator that has a tight-fitting facepiece and is operated in a continuous-flow mode. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any self-contained breathing apparatus with a full facepiece./(Assigned Protection Factor = 50) Any supplied-air respirator with a full facepiece.
Respirator Recommendations: Up to 250 ppm: (Assigned Protection Factor = 2000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Respirator Recommendations: Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned Protection Factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode./(Assigned Protection Factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape: (Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter./Any appropriate escape-type, self-contained breathing apparatus.
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4.13 Reactivities and Incompatibilities
Strong oxidizers, acids
4.14 Report

The o-Cresol, with the cas registry number 95-48-7, has the IUPAC name of 2-methylphenol. Being a kind of colorless crystal, it is sensitive to light and air, and is stable chemically while incompatible with oxidizing agents, bases. And this is insoluble in water, aqueouscaustic and other organic solvents.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.6; (7)ACD/KOC (pH 5.5): 271.31; (8)ACD/KOC (pH 7.4): 270.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 13.06 ×10-24 cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 77.1 °C; (20)Enthalpy of Vaporization: 44.47 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.379 mmHg at 25°C; (23)Exact Mass: 108.057515; (24)MonoIsotopic Mass: 108.057515; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 8; (27)Complexity: 70.8.

The production methods of this chemical are as below: The first way: prepare the carbolic acid and then react with the alkylating agent of carbinol and the catalytic agent to produce o-Cresol;? The second way: diazotize and then hydrolyze the Ortho Toluidine to produce o-Cresol; The third way: prepare the material of phenol and carbinol and then have the methylation with the manometer pressure of 4.14MPa and existence of aluminium oxide to get this chemical.

As to its usage, it is widely applied in many ways. It could be used as the intermediate of pesticide and herbicide, disinfectant, preservative and diluent and also in synthesis of coumarin ; It could be also used in organic synthesis and analysis reagent.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. This is a kind of toxic chemical which could at low levels cause damage to health. And it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1O
(2)InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
(3)InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 55mg/kg (55mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
dog LDLo intravenous 80mg/kg (80mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 57, 1959.
frog LDLo subcutaneous 200mg/kg (200mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo intraperitoneal 720mg/kg (720mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 35mg/kg (35mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: EXCITEMENT		 Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
mouse LC50 inhalation 179mg/m3/2H (179mg/m3) ? "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982.
mouse LD50 oral 344mg/kg (344mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse LDLo intraperitoneal 200mg/kg (200mg/kg) ? Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
mouse LDLo subcutaneous 410mg/kg (410mg/kg) ? Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909.
rabbit LD50 skin 890mg/kg (890mg/kg) ? Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
?
rabbit LDLo intravenous 180mg/kg (180mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 940mg/kg (940mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 450mg/kg (450mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rat LC50 inhalation > 1220mg/m3/1H (1220mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 oral 121mg/kg (121mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH		 BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 skin 620mg/kg (620mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat LDLo subcutaneous 65mg/kg (65mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA		 Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895

?

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4.15 Skin, Eye, and Respiratory Irritations
Vapors cause irritation of eyes, nose, and throat.
Corrosive. Causes severe eye and skin burns. May be harmful if absorbed through skin or inhaled. Irritating to skin, eyes, and respiratory system. Symptoms include severe irritation of eyes with tearing, conjunctivitis, and corneal edema. May act as a skin sensitizer.
... Cresol is a strong dermal irritant and causes frequent dermatitis. Serious or even fatal poisoning may result if large areas of the skin are wet with cresol and the cresol is not removed.
Cresol slightly more corrosive /to the skin or eyes/ than phenol, but systemic effects may be a little milder because of slower absorption.
m-Cresol ... somewhat less toxic and less irritant than phenol, while o-cresol is more toxic and p-cresol is most toxic of all three.
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4.16 Specification

The o-Cresol, with the cas registry number 95-48-7, has the IUPAC name of 2-methylphenol. Being a kind of colorless crystal, it is sensitive to light and air, and is stable chemically while incompatible with oxidizing agents, bases. And this is insoluble in water, aqueouscaustic and other organic solvents.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.6; (7)ACD/KOC (pH 5.5): 271.31; (8)ACD/KOC (pH 7.4): 270.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 13.06 ×10-24 cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 77.1 °C; (20)Enthalpy of Vaporization: 44.47 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.379 mmHg at 25°C; (23)Exact Mass: 108.057515; (24)MonoIsotopic Mass: 108.057515; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 8; (27)Complexity: 70.8.

The production methods of this chemical are as below: The first way: prepare the carbolic acid and then react with the alkylating agent of carbinol and the catalytic agent to produce o-Cresol;? The second way: diazotize and then hydrolyze the Ortho Toluidine to produce o-Cresol; The third way: prepare the material of phenol and carbinol and then have the methylation with the manometer pressure of 4.14MPa and existence of aluminium oxide to get this chemical.

As to its usage, it is widely applied in many ways. It could be used as the intermediate of pesticide and herbicide, disinfectant, preservative and diluent and also in synthesis of coumarin ; It could be also used in organic synthesis and analysis reagent.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. This is a kind of toxic chemical which could at low levels cause damage to health. And it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1O
(2)InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
(3)InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 55mg/kg (55mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
dog LDLo intravenous 80mg/kg (80mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 57, 1959.
frog LDLo subcutaneous 200mg/kg (200mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo intraperitoneal 720mg/kg (720mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 35mg/kg (35mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BEHAVIORAL: EXCITEMENT		 Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
mouse LC50 inhalation 179mg/m3/2H (179mg/m3) ? "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982.
mouse LD50 oral 344mg/kg (344mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse LDLo intraperitoneal 200mg/kg (200mg/kg) ? Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
mouse LDLo subcutaneous 410mg/kg (410mg/kg) ? Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909.
rabbit LD50 skin 890mg/kg (890mg/kg) ? Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
?
rabbit LDLo intravenous 180mg/kg (180mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 940mg/kg (940mg/kg) ? Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 450mg/kg (450mg/kg) ? "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rat LC50 inhalation > 1220mg/m3/1H (1220mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 oral 121mg/kg (121mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH		 BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 skin 620mg/kg (620mg/kg) ? Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat LDLo subcutaneous 65mg/kg (65mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA		 Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895

?

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4.17 Toxicity
LD50 orally in rats: 1.35 g/kg (Deichmann, Witherup)
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : in CDCl3  
1H NMR : 400 MHz in CDCl3  
1H NMR : 90 MHz in CDCl3  
IR : CCl4 solution  
IR : liquid film  
Raman : 4880 A,200 M,powder  
Mass  
7. Synthesis Route
95-48-7Total: 226 Synthesis Route
 
90-02-8
90-02-8 150 Suppliers
 
90-01-7
90-01-7 109 Suppliers
 
95-48-7
95-48-7 135 Suppliers
 
88-20-0
88-20-0 16 Suppliers
 
95-48-7
95-48-7 135 Suppliers
 
65-85-0
65-85-0 917 Suppliers
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8. Precursor and Product
precursor:
94-81-5
94-81-5
88-19-7
88-19-7
88-20-0
88-20-0
79-97-0
79-97-0
90-05-1
90-05-1
99-04-7
99-04-7
89-95-2
89-95-2
95-47-6
95-47-6
90-02-8
90-02-8
product:
95-53-4
95-53-4
95-52-3
95-52-3
95-71-6
95-71-6
69-72-7
69-72-7
95-47-6
95-47-6
78-30-8
78-30-8
87-24-1
87-24-1
99-53-6
99-53-6
99-87-6
99-87-6
90-02-8
90-02-8
9. Computed Properties
10.Other Information
Usage
o-Cresol is mainly used as a precursor to other compounds. Kolbe-Schmitt carboxylation gives o-cresotinic acid, a pharmaceutical intermediate. The muscle relaxant Mephenesin is an ether derived from o-cresol. Used as adhesives and sealant chemicals, fuels and fuel additives, intermediates, Solvents, Paints and coatings.
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Merck
14,2579
BRN
506917
Chemical Properties
colourless to light yellow liquid
Chemical Properties
Cresol is a mixture of the three isomeric cresols, o-, m-, and p-cresol. Cresols are slightly soluble in water. m-Isomer: Colorless or yellow liquid with characteristic odor.
Chemical Properties
o-Cresol has a musty, phenolic aftertaste.
Physical properties
Colorless solid or liquid with a phenolic odor; darkens on exposure to air. An odor threshold concentration of 0.28 ppbv was reported by Nagata and Takeuchi (1990).
Occurrence
Reported in Acacial farnesiana, ylang-ylang oil (probably as p-cresyl acetate), jasmine absolute, orange oil from leaves, the essence from flowers of Lilium candidum, anise seed oil, the essence of Artemisia santolinoflia, and some sea algae. Also reported found in asparagus, peppermint oil, cheddar cheese, provolone cheese, butter, milk, lean fish, boiled egg, smoked pork, rum, Scotch whiskey, red wine, white wine, coffee and mango.Reported found in cinnamon, coffee, Oriental tobacco, rum, sherry, tea, tomato and whiskey.
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Uses
Disinfectant; phenolic resins; tricresyl phosphate; ore flotation; textile scouring agent; organic intermediate; manufacturing salicylaldehyde, coumarin, and herbicides; surfactant; synthetic food flavors (para isomer only); food antioxidant; dye, perfume, plastics, and resins manufacturing.
Uses
o-Cresol is used as a disinfectant and solvent. Lysol disinfectant is a 50% (v/v) mixed-cresol isomer in a soap emulsion formed on mixing with water. Besides disinfection products at solutions of 1–5%, the cresols are used as degreasing compounds, paintbrush cleaners, and additives in lubricating oils. Cresols were previously widely used for disinfection of poultry houses, but this use was discontinued because of their toxicity; they cause respiratory problems and abdominal edema in young chicks. o-Cresol has been used in synthetic resins, explosives, petroleum, photographic, paint, and agricultural industries.
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Uses
Antiseptics; disinfectants; solvent; insecticides; resins; flame-retardant plasticizers
Production Methods
The cresols (cresylic acids) are methyl phenols and generally appear as a mixture of isomers. o-Cresol is a 2-methyl derivative of phenol and is prepared from o-toluic acid or obtained from coal tar or petroleum. Crude cresol is obtained by distilling “gray phenic acid” at a temperature of ≈180–201°C. o-Cresol may be separated from the crude or purified mixture by repeated fractional distillation in vacuo. It can also be prepared synthetically by diazotization of the specific toluidine or by fusion of the corresponding toluenesulfonic acid with sodium hydroxide.
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Definition
ChEBI: A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.
Aroma threshold values
Aroma characteristics at 1.0%: phenolic, medicinal, sweet spicy, smoky with a methyl salicylate nuance.
Taste threshold values
Taste characteristics at 2.0 ppm: sweet medicinal, phenolic and tarlike.
Synthesis Reference(s)
Tetrahedron Letters, 30, p. 5215, 1989 DOI: 10.1016/S0040-4039(01)93745-1
Chemical and Pharmaceutical Bulletin, 27, p. 816, 1979 DOI: 10.1248/cpb.27.816
Journal of the American Chemical Society, 107, p. 2571, 1985 DOI: 10.1021/ja00294a073
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General Description
Colorless or yellow to brown-yellow or pinkish colored liquid with a phenol-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199°F. Causes burns to skin, eyes and mucous membranes. Insoluble in water.
Air & Water Reactions
Sensitive to light and air. Insoluble in water.
Reactivity Profile
o-Cresol is incompatible with oxidizing agents and bases. Mixing o-Cresol with chlorosulfonic acid, nitric acid and oleum in a closed contained caused the temperature and pressure to increase.
Hazard
Questionable carcinogen.
Health Hazard
The chemical is rated as a very toxic compound with a probable oral lethal dose in humans of 50-500 mg/kg, or between 1 teaspoon and 1 ounce for a 70 kg (150 lb.) person. It is a strong dermal irritant and frequently causes dermatitis. Serious or fatal poisoning may result if large areas of skin are wet with cresol, o- and the substance is not removed immediately. Ingestion of even a small amount may cause paralysis and coma. It is corrosive to body tissues, with toxicity similar to phenol.
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Fire Hazard
Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases. o-Cresol may burn but does not ignite readily. Container may explode in heat of fire. Slight explosion and fire hazard in the form of vapor when exposed to heat or flame. When heated to decomposition, o-Cresol emits highly toxic fumes. Reacts violently with nitric acid, oleum, and chlorosulfonic acid. Hazardous polymerization may not occur.
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Safety Profile
Poison by ingestion, inhalation, subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by skin contact. A severe eye and skin irritant. Human mutation data reported. Questionable carcinogen with experimental neoplastigenic data. Flammable when exposed to heat, flame, or oxidants. To fight fire, water may be used to blanket fire; foam, fog, mist, dry chemical. See also other cresol entries and PHENOL.
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Potential Exposure
Cresol is used as a disinfectant and fumigant; as an ore flotation agent, and as an intermediate in the manufacture of chemicals, dyes, plastics, and antioxidants. A mixture of isomers is generally used; the concentrations of the components are determined by the source of the cresol.
Source
Detected in distilled water-soluble fractions of 87 octane gasoline (6.61 mg/L), 94 octane gasoline (0.57 mg/L), Gasohol (1.17 mg/L), No. 2 fuel oil (2.64 mg/L), jet fuel A (0.72 mg/L), diesel fuel (1.36 mg/L), and military jet fuel JP-4 (1.51 mg/L) (Potter, 1996). o-Cresol was also detected in 82% of 65 gasoline (regular and premium) samples (62 from Switzerland, 3 from Boston, MA). At 25 °C, concentrations were from 1.1–99 mg/L in gasoline and 70–6,600 μg/L in water-soluble fractions. Average concentrations were 18 mg/L in gasoline and 1.2 mg/L in watersoluble fractions (Schmidt et al., 2002).
A high-temperature coal tar contained 2-methylphenol at an average concentration of 0.25 wt % (McNeil, 1983).
Occurs naturally in white sandlewood, sour cherries, peppermint leaves (1–10 ppb), tarragon, asparagus shoots, tea leaves, coffee beans, Japanese privet, tomatoes, licorice roots, and African palm oil (Duke, 1992).
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rates of 2-methylphenol were 89.6 mg/kg of pine burned, 47.7 mg/kg of oak burned, and 37.8 mg/kg of eucalyptus burned. The particle-phase emission rates were 0.018 mg/kg of oak burned and 0.006 mg/kg of eucalyptus burned.
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Environmental fate
Biological. Bacterial degradation of 2-methylphenol may introduce a hydroxyl group producing 3-methylcatechol (Chapman, 1972). In phenol-acclimated activated sludge, metabolites identified include 3-methylcatechol, 4-methylresorcinol, methylhydroquinone, α-ketobutyric acid, dihydroxybenzaldehyde, and trihydroxytoluene (Masunaga et al., 1986).
Chloroperoxidase, a fungal enzyme isolated from Caldariomyces fumago, reacted with 2- methylphenol forming 2-methyl-4-chlorophenol (38% yield) and 2-methyl-6-chlorophenol (Wannstedt et al., 1990).
Heukelekian and Rand (1955) reported a 5-d BOD value of 1.70 g/g which is 67.5% of the ThOD value of 2.72 g/g. In activated sludge inoculum, 95.0% COD removal was achieved. The average rate of biodegradation was 54.0 mg COD/g?h (Pitter, 1976).
Soil. In laboratory microcosm experiments kept under aerobic conditions, half-lives of 5.1 and 1.6 d were reported for 2-methylphenol in an acidic clay soil (<1% organic matter) and slightly basic sandy loam soil (3.25% organic matter) (Loehr and Matthews, 1992).
Surface Water. In river water, the half-life of 2-methylphenol was 2 and 4 d at 20 and 4 °C, respectively (Ludzack and Ettinger, 1960).
Groundwater. Nielsen et al. (1996) studied the degradation of 2-methylphenol in a shallow, glaciofluvial, unconfined sandy aquifer in Jutland, Denmark. As part of the in situ microcosm study, a cylinder that was open at the bottom and screened at the top was installed through a cased borehole approximately 5 m below grade. Five liters of water was aerated with atmospheric air to ensure aerobic conditions were maintained. Groundwater was analyzed weekly for approximately 3 months to determine 2-methylphenol concentrations with time. The experimentally determined first-order biodegradation rate constant and corresponding half-life were 0.2/d and 3.5 d, respectively. Groundwater contaminated with phenol and other phenols degraded in a methanogenic aquifer to methane and carbon dioxide. These results could not be duplicated in the laboratory utilizing an anaerobic digester (Godsy et al., 1983).
Photolytic. Sunlight irradiation of 2-methylphenol and nitrogen oxides in air yielded the following gas-phase products: acetaldehyde, formaldehyde, pyruvic acid, peroxyacetyl nitrate, nitrocresols, and trace levels of nitric acid and methyl nitrate. Particulate phase products were also identified and these include 2-hydroxy-3-nitrotoluene, 2-hydroxy-5-nitrotoluene, 2-hydroxy-3,5- dinitrotoluene, and tentatively identified nitrocresol isomers (Grosjean, 1984). Absorbs UV light at a maximum wavelength of 270 nm (Dohnal and Fenclová, 1995).
Chemical/Physical. Ozonation of an aqueous solution containing 2-methylphenol (200 to 600 mg/L) yielded formic, acetic, propionic, glyoxylic, oxalic, and salicylic acids (Wang, 1990). In a different experiment, however, an aqueous solution containing 2-methylphenol (1 mM) reacted with ozone (11.7 mg/min) forming 2-methylmuconic acid and hydrogen peroxide as end products. The proposed pathway of degradation involved electrophilic aromatic substitution by the first ozone molecule followed by a 1,3-dipolar addition of the second ozone molecule to the cleaved ring (Beltran et al., 1990).
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Shipping
UN2076 Cresols, liquid, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 8-Corrosive material. UN3455 Cresols, solid, Hazard class: 6.1; Labels: 6.1- Poisonous materials, 8-Corrosive material.
Purification Methods
It can be freed from m-and p-isomers by repeated fractional distillation, It crystallises from *benzene by addition of pet ether. It has been fractionallly crystallised by partial freezing of its melt. The 3,5-dinitrobenzoate (prepared with 3,5-dinitrobenzoyl chloride in dry pyridine, and recrystallised from EtOH or aqueous Me2CO) has m 138o. [Beilstein 6 IV 1940.]
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Incompatibilities
Vapors may form explosive mixture with air. Incompatible with strong acids; oxidizers, alkalies, aliphatic amines; amides, chlorosulfonic acid; oleum. Decomposes on heating, producing strong acids and bases, causing fire and explosion hazard. Liquid attacks some plastics and rubber. Attacks many metals.
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Waste Disposal
Wastewaters may be subjected to biological treatment. Concentrations may be further reduced by ozone treatment. High concentration wastes may be destroyed in special waste incinerators.
Storage features
Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.
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12. Related Questions
What is o-Cresol and how is it used in industry?o-Cresol, also known as ortho-cresol, 2-methylphenol, or 2-cresol, is an isomer of cresol. It appears as colorless crystals or liquid with a phenolic odor, toxic in nature, biodegradable in the enviro..
How can o- and m-cresol be synthesized?Background technologyMe-cresol and o-Cresol are fine chemicals with good market prospects; with the increasing demand for cresol downstream products, such as feed-grade vitamin E, pharmaceuticals, and..
Why does orthocresol behave as a skin irritant? o-Cresol or ortho-Cresol or 2-methylphenol is a constituent of tobacco smoke, and, like most other phenols, behaves as a skin irritant, causing a burning sensation when it comes in direct contact, or..
What are the applications of o-Cresol?Background and overview[1] o-Cresol is also known as o-cresol. Colorless liquid or crystal. Miscible with alcohol, ether and chloroform. Soluble in sodium hydroxide solution. Slightly soluble in water..
13. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Other Information
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