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Butyraldehyde structure

Butyraldehyde
Butanal (N-butyraldehyde) is an organic compound which is the aldehyde derivative of butane. It appeases as a clear liquid.Butyraldehye is used mainly as an intermediate in the production of synthetic resins, rubber vulcanization accelerators, solvents, and plasticizers. It is also an intermediate for the manufacture of pharmaceuticals, crop protection products, pesticides, antioxidants, tanning auxiliaries, and perfumes. Butyraldehyde has a characteristic pungent odor and it is used as a food additive. View more+
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1. Names and Identifiers
1.1 Name
Butyraldehyde
1.2 Synonyms
1-butanal; butan-1-al; Butanal; Butyl aldehyde; Butyraldehyde [UN1129] [Flammable liquid]; butyraldehyde(czech); butyric aldehyde; Butyrylaldehyde; EINECS 204-646-6; femanumber2219; MeCH2CH2CHO; MFCD00007023; n-butanal; n-butanal(czech); n-Butyl aldehyde; n-butylaldehyde; n-Butyraldehyde; n-Butyricaldehyde; n-C3H7CHO; NCI-C56291; propanecarbaldehyde;
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1.3 CAS No.
123-72-8
1.4 CID
261
1.5 EINECS
204-646-6
1.6 Molecular Formula
C4H8O
1.7 Inchi
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
1.8 InChkey
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
1.9 Canonical Smiles
CCCC=O
1.10 Isomers Smiles
CCCC=O
2. Properties
2.1 Vapour pressure
2.5 (vs air)
2.2 Solubility
7.1 g/100 mL (25 oC)
2.3 Viscosity
0.45 cP at 20 °C
2.4 VaporDensity
2.5 (vs air)
2.5 Appearance
clear liquid
2.6 Atmospheric OH Rate Constant
2.35e-11 cm3/molecule*sec
2.7 Storage
Air Sensitive. Store under Argon. Ambient temperatures.
2.8 Autoignition Temperature
446 °F (USCG, 1999)
2.9 Carcinogenicity
Although butyraldehyde interactswith DNA, no experimental studies of its carcinogenicpotency were found.
2.10 Chemical Properties
colourless liquid with a very unpleasant smell
2.11 Color/Form
Liquid
Water-white liquid
2.12 Decomposition
When heated to decomposition it emits acrid smoke and fumes.
2.13 Heat of Combustion
2479.34 kJ/mol at 25 °C (liquid)
2.14 Heat of Vaporization
33.68 kJ/mol at 25 °C
2.15 HenrysLawConstant
1.15e-04 atm-m3/mole
2.16 Odor
Characteristic, pungent, aldehyde odor
2.17 Odor Threshold
Odor threshold= 0.009 ppm
2.18 PH
6-7 (71g/l, H2O, 20℃)
2.19 Water Solubility
7.1 g/100 mL (25 oC)
2.20 Spectral Properties
Index of refraction: 1.3843 at 20 deg C
MAX ABSORPTION (WATER): 225 NM (LOG E= 1.07); 282 NM (LOG E= 1.13)
IR: 333 (Sadtler Research Laboratories Prism Collection)
UV: 1-33 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 78 (Varian Associates NMR Spectra Catalogue)
MASS: 61771 (NIST/EPA/MCDC Mass Spectral Database 1990 version)
13C NMR: 74 (Johnson and Jankowski; Carbon-13 NMR for Organic Chemists, John Wiley and Sons, NY)
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2.21 Stability
Stable. Incompatible with oxidizing agents, strong bases, strong reducing agents, strong acids. Highly flammable.
2.22 StorageTemp
2-8°C
2.23 Surface Tension
29.9 dyn/cm at 24 °C
3. Use and Manufacturing
3.1 Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: May occur in the presence of heat, acids or alkalis; Inhibitor of Polymerization: Not pertinent.
3.2 Definition
ChEBI: A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals.
3.3 Description
colourless liquid with a very unpleasant smell Butyraldehyde is a highly flammable, colorless liquid with a pungent odor. Butyraldehyde has a characteristic pungent odor.ChEBI: A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals.Butanal (N-butyraldehyde) is an organic compound which is the aldehyde derivative of butane. It appeases as a clear liquid.Butyraldehye is used mainly as an intermediate in the
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3.4 Polymerization
Hazardous polymerization may occur.
3.5 Usage
n-Butyraldehyde is used to make rubberaccelerators, synthetic resins, and plasticizers;and as a solvent.
3.6 Waste Disposal
Dissolve or mix the materialwith a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. Butyraldehyde Preparation Products And Raw materials Raw materials
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4. Safety and Handling
4.1 Exposure Standards and Regulations
Butyraldehyde is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Butyraldehyde is an indirect food additive for use only as a component of adhesives.
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4.2 Octanol/Water Partition Coefficient
log Kow = 0.88
4.3 Fire Hazard
Behavior in Fire: Vapors are heavier than air and may travel considerable distance to a source of ignition and flash back. Fires are difficult to control due to ease of reignition.
4.4 Other Preventative Measures
The basic ventilation methods are local and exhaust ventilation and dilution or general ventilation.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions 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: 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.
Personnel protection: Avoid breathing vapors. Keep upwind. Wear appropriate chemical protective gloves, boots and goggles. 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.
Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
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. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
Low inhalation toxicity. Good warning property due to pungent odor.
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4.5 Cleanup Methods
Contaminated wastewaters containing butyraldehyde are produced during the MFR of poly(vinyl butyral) and poly(vinyl formal ethylal). On tha basis of lab tests, a scheme for treating wastewater is recommended. After neutralization with sodium hydroxide or calcium oxide, the organic fraction is distilled from the wastewater and incinerated.
Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors and protect personnel. Control runoff and isolate discharged material for proper disposal.
Environmental considerations water spill: Use natural barriers or oil spill control booms to limit spill travel Remove trapped material with suction hoses.
Environmental considerations air spill: Apply water spray or mist to knock down vapors.
Environmental considerations land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
...Absorb liquid in vermiculite, dry sand, earth or similar noncombustible absorbent material and deposit in sealed container. Do not use sawdust or other combustible absorbent. Ventilate area of spill or leak after clean-up is complete...
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4.6 DisposalMethods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
The following wastewater treatment technology has been investigated for butyraldehyde: Concentration process: Activated carbon.
Butyraldehyde is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
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4.7 DOT Emergency Guidelines
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane or nitroethane. Large fires: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. 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. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. 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. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. 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.
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4.8 Fire Fighting Procedures
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. 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 dry chemical, foam, or carbon dioxide. Water may be ineffective but should be used to keep fire-exposed containers cool. Fight fire from protected location or maximum possible distance.
Fight fire from protected location or maximum possible distance. Use dry chemical, foam, carbon dioxide. Water may be ineffective. Use water spray to keep fire-exposed containers cool.
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4.9 FirePotential
Highly flammable liquid.
4.10 Safety Profile
Moderately toxic by ingestion, inhalation, skin contact, intraperitoneal, and subcutaneous routes. Severe skin and eye irritant. Human immunologcal effects by inhalation: delayed hypersensitivity. See also ALDEHYDES. Highly flammable liquid. To fight fire, use foam, CO2, dry chemical. Incompatible with oxidzing materials. Reacts vigorously with chlorosulfonic acid, HNO3, oleum, H2SO4. When heated to decomposition it emits acrid smoke and fumes
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4.11 Formulations/Preparations
Grades: Technical (93% minimum).
98% Liquid grade ...
Available commercially as a 55% aqueous solution
4.12 Incompatibilities
May form explosive mixture with air.Butyraldehyde can presumably form explosive peroxides,and may polymerize due to heat or contact with acids oralkalis. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine,fluorine, etc.); contact may cause fires or explosions. Keepaway from alkaline materials, strong bases, strong acids,oxoacids, epoxides, caustics, ammonia, aliphatic amines;alkanolamines, aromatic amines. May accumulate staticelectrical charges, and may cause ignition of its vapors.Possible self-reaction in air; undergoes rapid oxidation to
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4.13 Protective Equipment and Clothing
Wear special protective clothing and positive-pressure self-contained breathing apparatus.
Wear solvent-resistant gloves and clothing to prevent any reasonable probability of skin contact. ...All protective clothing (suits, gloves, footwear, headgear) should be clean, available each day, and put on before work. Contact lenses should not be worn when working with this chemical. Wear splash-proof chemical goggles and face shield unless full facepiece respiratory protection is worn. Employees should wash immediately with soap when skin is wet or contaminated. Remove nonimpervious clothing immediately if wet or contaminated. Provide emergency showers and eyewash.
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4.14 Reactivities and Incompatibilities
Incompatible with oxidizing materials.
Reacts vigorously with chlorosulfonic acid, /nitric acid/, oleum, /sulfuric acid/.
Butyraldehyde mixed with chlorosulfonic acid, 70% nitric acid, oleum, or 96% sulfuric acid in closed containers causes the temperature, and pressure to increase.
Mixing n-butyrlaldehyde and chlorosulfonic acid in a closed container caused the temperature and pressure to increase.
Mixing n-butyrlaldehyde and 70% nitric acid in a closed container caused the temperature and pressure to increase.
Mixing n-butyrlaldehyde and oleum in a closed container caused the temperature and pressure to increase.
Mixing n-butyrlaldehyde and 96% sulfuric acid in a closed container caused the temperature and pressure to increase.
Possible self-reaction in air; undergoes rapid oxidation to butyric acid in air. Incompatible with strong oxidizers (possible violent reaction), strong acids, caustics, ammonia, aliphatic amines, alkanolamines, aromatic amines. May corrode steel due to corrosive action of butyric acid.
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4.15 Skin, Eye, and Respiratory Irritations
Irritating to skin, eyes and respiratory system.
...Eye or skin contact may cause burns and possible permanent damage. High exposure can cause dizziness and lightheadedness. Higher exposures can cause pulmonary edema, a medical emergency that can be delayed for several hours. This can cause death... Prolonged or repeated skin exposure may cause skin disorders.
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4.16 Safety

Hazard Codes:?FlammableF
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 9-29-33?
S9:Keep container in a well-ventilated place.?
S29:Do not empty into drains.?
S33:Take precautionary measures against static discharges.
RIDADR: UN 1129 3/PG 2
WGK Germany: 1
RTECS: ES2275000
F: 13-23
HazardClass: 3
PackingGroup: II
Hazardous Substances Data: 123-72-8(Hazardous Substances Data)

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4.17 Sensitive
Air Sensitive
4.18 Specification

?Butanal(123-72-8) is also named as 1-Butanal ; 4-01-00-03229 (Beilstein Handbook Reference) ; AI3-24198 ; Aldehyde butyrique ; Aldehyde butyrique [French] ; Aldeide butirrica ; Aldeide butirrica [Italian] ; BRN 0506061 ; Butal ; Butaldehyde ; Butalyde ; Butanaldehyde ; Butylaldehyde ; Butyral ; Butyraldehyd ; Butyraldehyd [German] ; Butyraldehyde ; Butyric dehyde ; CCRIS 3221 ; FEMA Number 2219 ; HSDB 2798 ; NCI-C56291 ; NSC 62779 ; UNII-H21352682A ; n-Butyraldehyde .?Butanal is colourless liquid with a very unpleasant smell.?It is highly flammable and insoluble in water.?Butanal can react with oxidizing materials. In contact with strong acids or bases?Butanal will undergo an exothermic condensation reaction. The dry aldehyde may undergo some polymerization reaction. Reacts vigorously with chlorosulfonic acid, nitric acid, sulfuric acid (oleum). Inhalation will cause irritation and possibly nausea, vomiting, headache, and loss of consciousness. Contact with eyes causes burns. Skin contact may be irritating. Vapors are heavier than air and may travel considerable distance to a source of ignition and flash back. Fires are difficult to control due to ease of reignition.

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4.19 Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 38gm/m3 (38000mg/m3) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 44610mg/m3/2H (44610mg/m3) ? "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.
mouse LD50 intraperitoneal 1140mg/kg (1140mg/kg) ? Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
mouse LD50 subcutaneous 2700mg/kg (2700mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

KIDNEY, URETER, AND BLADDER: HEMATURIA		 Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rabbit LD50 skin 3560uL/kg (3.56mL/kg) ? Union Carbide Data Sheet. Vol. 7/20/1965,
rat LCLo inhalation 8000ppm/4H (8000ppm) ? National Technical Information Service. Vol. OTS0516688,
rat LD50 intraperitoneal 800mg/kg (800mg/kg) ? Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
rat LD50 oral 2490mg/kg (2490mg/kg) ? National Technical Information Service. Vol. OTS0516688,
rat LD50 subcutaneous 10gm/kg (10000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour
Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

Response

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

P370+P378 In case of fire: Use ... to extinguish.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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  
13C NMR : Predict  
1H NMR : 90 MHz in CDCl3  
1H NMR : Predict  
Predict 1H proton NMR  
IR : CCl4 solution  
IR : liquid film  
Raman : 4880 A,200 M,liquid  
Mass  
Mass spectrum (electron ionization)  
UV/Visible spectrum  
7. Synthesis Route
123-72-8Total: 283 Synthesis Route
 
71-36-3
71-36-3 61 Suppliers
 
75-18-3
75-18-3 132 Suppliers
 
123-72-8
123-72-8 90 Suppliers
 
71-36-3
71-36-3 61 Suppliers
 
123-72-8
123-72-8 90 Suppliers
 
107-92-6
107-92-6 190 Suppliers
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8. Precursor and Product
precursor:
71-36-3
71-36-3
product:
77-99-6
77-99-6
94-96-2
94-96-2
107-92-6
107-92-6
110-69-0
110-69-0
109-21-7
109-21-7
78-84-2
78-84-2
71-36-3
71-36-3
142-96-1
142-96-1
645-62-5
645-62-5
76-40-4
76-40-4
9. Computed Properties
10.Other Information
Usage
Butyraldehyde is used as an intermediate in the production of synthetic resins, rubber accelerators, tanning auxiliaries, perfumes, flavors, plasticizers and high molecular weight polymers. It acts as a chemical intermediate to prepare other chemicals such as 2-ethylhexanol, n-butanol, polyvinyl butyral (PVB), n-butyric acid and pharmaceuticals.
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Merck
14,1591
BRN
506061
Description
Butanal (N-butyraldehyde) is an organic compound which is the aldehyde derivative of butane. It appeases as a clear liquid. Butyraldehye is used mainly as an intermediate in the production of synthetic resins, rubber vulcanization accelerators, solvents, and plasticizers. It is also an intermediate for the manufacture of pharmaceuticals, crop protection products, pesticides, antioxidants, tanning auxiliaries, and perfumes. Butyraldehyde has a characteristic pungent odor and it is used as a food additive.
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References
[1] George A. Burdock, Encyclopedia of Food and Color Additives, Volume 1, 2000
[2] Sunggye Lee, Methane and Its Derivatives, 1997
[3] http://www.solvents.basf.com
Description
Butyraldehyde (butanal, IUPAC) is a water-white liquid with a pungent aldehyde odor. Butyraldehyde is a dangerous fire risk, with a flammable range of 2.5%–12.5% in air. Boiling point is 168°F (75°C), flash point is 10°F (?12°C), and ignition temperature is 446°F (230°C). It is slightly soluble in water, with a specific gravity of 0.8, which is lighter than water. Vapor density is 0.804, which is lighter than air. In addition to flammability, butyraldehyde is corrosive and causes severe eye and skin burns. It may be harmful if inhaled. The four-digit UN identification number is 1129. The NFPA 704 designation is health 3, flammability 3, and reactivity 2. The primary uses of butyraldehyde are in plastics and rubber and as a solvent.
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Chemical Properties
colourless liquid with a very unpleasant smell
Chemical Properties
Butyraldehyde is a highly flammable, colorless liquid with a pungent odor.
Chemical Properties
Butyraldehyde has a characteristic pungent odor.
Occurrence
Reported found in the essential oils from flowers, fruits, leaves or bark of Monarda fistulosa L., Litsea cubeba, Bulgarian clary sage, cajeput, Eucalyptus cinerea, E. globules, and others, as well as in apple and strawberry aromas. Also reported found in fresh apple, pears, carrots, peas, soybean, butter, milk, black tea, roast chicken, peanuts, loganberry, honey, white wine and hog plums (Spondias mombins L.).
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Uses
n-Butyraldehyde is used to make rubberaccelerators, synthetic resins, and plasticizers;and as a solvent.
Uses
Butanal is used in the manufacture of rubber accelerators, synthetic resins, solvents, and plasticizers. n-Butyraldehyde is used as an intermediate in the manufacturing of plasticizers, alcohols, solvents, and polymers (such as 2-ethylhexanol, n-butanol, trimethylolpropane, n-butyric acid, polyvinyl butyral, and methyl amyl ketone). It is also used as an intermediate to make pharmaceuticals, agrochemicals, antioxidants, rubber accelerators, textile auxiliaries, perfumery, and flavors. It has no therapeutic use at the present time.
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Uses
Chiefly in the manufacture of rubber accelerators, synthetic resins, solvents, plasticizers.
Definition
ChEBI: A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals.
Preparation
By dry distillation of calcium butyrate and calcium formate.
Aroma threshold values
Detection: 19 to 37 ppb; recognition: 11 to 27 ppb
Taste threshold values
Taste characteristics at 5 ppm: musty, fusel, fermented, bready and yeasty with a malty nuance.
General Description
A clear liquid with a pungent odor. Flash point 20°F. Boiling point 75.7°F (Hawley's). Less dense than water and insoluble in water. Vapors heavier than air.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
A colorless liquid, Butyraldehyde can react with oxidizing materials. In contact with strong acids or bases Butyraldehyde will undergo an exothermic condensation reaction. The dry aldehyde may undergo some polymerization reaction. Reacts vigorously with chlorosulfonic acid, nitric acid, sulfuric acid (oleum). [Sax, 9th ed., 1996, p. 607].
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Hazard
Flammable, dangerous fire risk.
Health Hazard
n-Butyraldehyde is a mild skin and eye irritant.The liquid in 100% pure form producedmoderate irritation on guinea pig skin. Theirritation resulting from 20 mg in 24 hours on rabbit eye was moderate. A higher dosecould produce severe irritation.
Toxicity of n-butyraldehyde is very low.The effect is primarily narcotic. No toxiceffect, however, was observed in mice from 2-hour exposure at a concentration of 44.6 g/m3.At a higher concentration, 174 g/m3 for30 minutes, it exhibited a general anestheticeffect on rats. Subcutaneous administrationof a high dose, >3 g/kg, produced the sameeffect, affecting the kidney and bladder.
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Health Hazard
Inhalation will cause irritation and possibly nausea, vomiting, headache, and loss of consciousness. Contact with eyes causes burns. Skin contact may be irritating.
Fire Hazard
Behavior in Fire: Vapors are heavier than air and may travel considerable distance to a source of ignition and flash back. Fires are difficult to control due to ease of reignition.
Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: May occur in the presence of heat, acids or alkalis; Inhibitor of Polymerization: Not pertinent.
Biochem/physiol Actions
Taste at 10 ppm
Safety Profile
Moderately toxic by ingestion, inhalation, skin contact, intraperitoneal, and subcutaneous routes. Severe skin and eye irritant. Human immunologcal effects by inhalation: delayed hypersensitivity. See also ALDEHYDES. Highly flammable liquid. To fight fire, use foam, CO2, dry chemical. Incompatible with oxidzing materials. Reacts vigorously with chlorosulfonic acid, HNO3, oleum, H2SO4. When heated to decomposition it emits acrid smoke and fumes
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Carcinogenicity
Although butyraldehyde interacts with DNA, no experimental studies of its carcinogenic potency were found.
Environmental Fate
Butanal does not possess high acute toxicity but is a potent irritant of the skin, eyes, and upper respiratory tract. The mechanism of toxicity probably involves direct reaction between the active aldehyde group and cellular components.
Shipping
UN1129 Butyraldehyde, Hazard Class: 3; Labels: 3—Flammable liquid
Toxicity evaluation
The primary degradation process in soil is expected to be biodegradation. A number of biological screening studies have demonstrated that butyraldehyde is readily biodegradable.
The major environmental fate processes for butyraldehyde in water are biodegradation and volatilization. A number of biological screening studies have demonstrated that butyraldehyde is readily biodegradable. Volatilization half-lives of 9 h and 4.1 days have been estimated for a model river (1-m deep) and a model pond, respectively. Aquatic hydrolysis, adsorption to sediment, and bioconcentration are not expected to be important fate processes.
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Incompatibilities
May form explosive mixture with air. Butyraldehyde can presumably form explosive peroxides, and may polymerize due to heat or contact with acids or alkalis. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, caustics, ammonia, aliphatic amines; alkanolamines, aromatic amines. May accumulate static electrical charges, and may cause ignition of its vapors. Possible self-reaction in air; undergoes rapid oxidation to
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Waste Disposal
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
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12. Related Questions
What are the properties, preparation, uses, and hazards of Butyraldehyde?Butyraldehyde is a colorless, transparent, and suffocating liquid with an irritating odor. It is flammable and slightly soluble in water. It can be mixed with various organic solvents such as ethanol,..
What are the Uses, Environmental Fate, and Mechanism of Toxicity of Butyraldehyde?Butyraldehyde, also known as butanal, is an organic compound (CH3(CH2)2CHO) and the aldehyde derivative of butane. This colorless flammable liquid has an unpleasant smell and is miscible with most org..
What is Butyraldehyde and its Applications?Butyraldehyde is a colorless, transparent, flammable liquid with a suffocating aldehyde odor. It is slightly soluble in water and can mix with ethanol, ether, ethyl acetate, acetone, toluene, and vari..
How does the separation and purification system work for Butyraldehyde and isobutyraldehyde?A system for the separation and purification of Butyraldehyde and isobutyraldehyde, comprising an isomer tower, a first distillation tower, and a second distillation tower. The top outlet of the isome..
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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