Encyclopedia / Food Additives / Organic Intermediate / Dyestuff Intermediates

Valeraldehyde

CAS：110-62-3
MW:86.13230
MF：C5H10O

A colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber. View more+

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Valeraldehyde

1.2 Synonyms: butylformal; EINECS 203-784-4; Is valeraldehyde; MFCD00007026; n-C4H9CHO; N-PENTANAL; n-valeral; n-valeraldehyde; pentan-1-al; Pentanal; Pentanal for synthesis; PENTANAL FOR SYNTHESIS 100 ML; PENTANAL FOR SYNTHESIS 500 ML; Pentanal Valeral Valeric aldehyde; Pentanenal; pentylaldehyde; Valeral; Valeraldehyde, Pentaldehyde; valeric aldehyde;

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1.3 CAS No.: 110-62-3

1.4 CID: 8063

1.5 EINECS: 203-784-4

1.6 Molecular Formula: C5H10O

1.7 Inchi: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

1.8 InChkey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCC=O

1.10 Isomers Smiles: CCCCC=O

2. Properties

2.1 Vapour pressure: 3.0 (Air = 1)

2.2 Solubility: 14g/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: 3.0 (Air = 1)

2.5 AnalyticLaboratory Methods: OSHA Method No. 85. HPLC Reliable quantitation limit 174 ppb

2.6 Appearance: Colorless liquid with a strong, acrid, pungent odor.

2.7 AutoIgnition: 222°C

2.8 Storage: Air Sensitive. Store under Nitrogen. Ambient temperatures.

2.9 Carcinogenicity: n-Valeraldehyde caused chromosomaland DNA effects in mammalian cells in culturebut was not mutagenic in an Ames bacterialtest.

2.10 Chemical Properties: Colorless liquid. Slightly soluble in water; solublein alcohol and ether.

2.11 Color/Form: Liquid
Colorless liquid

2.12 Decomposition: When heated to decomposition it emits acrid smoke and fumes.

2.13 Ionization Potential: 9.82 eV

2.14 Odor: POWERFUL, ACRID, PUNGENT ODOR

2.15 Odor Threshold: 0.028 ppm

2.16 Physical: VALERALDEHYDE; is a colorless liquid. Slightly soluble in water; and less dense than water;. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.

2.17 Water Solubility: 14 g/L (20 oC)

2.18 Spectral Properties: MAX ABSORPTION (GAS): 178 NM, 182 NM, 184 NM
SADTLER REFERENCE NUMBER: 9199 (IR, PRISM)
Index of refraction = 1.3944 at 20 deg C/D
IR: 9490 (Sadtler Research Laboratories Prism Collection)
Raman: 147 (Sadtler Research Laboratories Spectral Collection)
1H NMR: 17142 (Sadtler Research Laboratories Spectral Collection)
MASS: 19413 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 406 Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Index of refraction = 1.3942 at 20 deg C

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2.19 Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents,acids, strong alkalies, strong reducing agents.

2.20 StorageTemp: Store at +2°C to +8°C.

2.21 Surface Tension: 27.4 mN/m at 20 deg C

3. Use and Manufacturing

3.1 Definition: ChEBI: A fatty aldehyde composed from five carbons in a straight chain

3.2 Description: Valeraldehyde (CAS 110-62-3) is a colorless liquid with a pungent odor. It has a basic structure consisting of a five-carbon chain with an aldehyde functional group. Valeraldehyde is soluble in water and organic solvents such as ethanol and ether. It has a boiling point of 102-104°C and a density of 0.805 g/mL. This chemical is highly flammable and may react vigorously with oxidizing agents.

Applicable Fields
Valeraldehyde has various applications in different fields:

Flavor and Fragrance Industry: Valeraldehyde is used as a flavoring agent in the food industry, providing a fruity or nutty aroma. It is also utilized in the production of fragrances, contributing to the scent of certain perfumes and cosmetics.

Chemical Synthesis: Valeraldehyde serves as a starting material for the synthesis of various chemicals. It is commonly used in the production of pharmaceuticals, pesticides, and plasticizers.

Storage Conditions
Store in a cool, dry place.

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3.3 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 1148 companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H315 (29.36%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (70.64%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (97.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (97.56%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (82.58%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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
P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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3.4 Methods of Manufacturing: CATALYTIC DEHYDROGENATION OF N-PENTANOL; IN THE PRESENCE OF A COPPER; OR A COPPER-CHROMITE CATALYST AT HIGH TEMPERATURES

3.5 Potential Exposure: Valeraldehyde is used in food flavorings;in resin chemistry. It is also used in the accelerationof rubber vulcanization.

3.6 Purification Methods: Purify pentanal via the bisulfite derivative (see 2-butanone above for the preparation and decomposition of the bisulfite derivative). [Birrell & Trotman-Dickinson J Chem Soc 2059 1960, Beilstein 1 H 676, 1 IV 3268.] The 2,4-dinitrophenylhydrazone [2057-84-3] M 266.3 has m 103-105o (from EtOH). [Beilstein 15 III/IV 429.]

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3.7 Shipping: UN2058 Valeraldehyde, Hazard Class: 3;Labels: 3-Flammable liquid.

3.8 Usage: n-Valeraldehyde is used for food flavoringand in resin and rubber products.

3.9 Waste Disposal: Dissolve or mix the materialwith a combustible solvent and burn in a chemical incineratorequipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. Valeraldehyde Preparation Products And Raw materials Raw materials

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4. Safety and Handling

4.1 Exposure Standards and Regulations: Pentanal 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.

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4.2 Octanol/Water Partition Coefficient: log Kow = 1.31 (est)

4.3 Fire Hazard: 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 or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

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4.4 Other Preventative Measures: 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.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard (i.e., for liquids with a flash point
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 should remain at employee's place of work for cleaning.
SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.

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4.5 Cleanup Methods: Absorb the spills with rags or other available absorbing materials. Evaporate in a hood and dispose by burning the rag or the absorbing materials.

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.
Dissolve in a combustible solvent, thence spray the solvent into the furnace with afterburner.

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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: Foam, dry chemical, or carbon dioxide. Water may be ineffective.

4.9 FirePotential: A very dangerous fire hazard when exposed to heat or flame.

4.10 Safety Profile: Moderately toxic byingestion. Mddly toxic by inhalation and s hcontact. A severe eye and skin irritant. Avery dangerous fire hazard when exposed toheat or flame. %%en heated todecomposition it emits acrid smoke andirritating fumes. See also ALDEHYDES.

4.11 Incompatibilities: Vapor may form explosive mixture withair. 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, amines.

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4.12 Protective Equipment and Clothing: Goggles or face shield; rubber gloves and boots.
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 possbility 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.]

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4.13 Skin, Eye, and Respiratory Irritations: Vapor may irritate eyes.
Valeraldehyde can affect you when breathed in. Contact can severely irritate the eyes, skin, nose and throat. ...

4.14 Sensitive: Air Sensitive

4.15 Toxicity: ORL-RAT LD50 3200 mg kg-1, SKN-RBT LD50 6000 mg kg-1, ORL-MUS LD50 6400 mg kg-1, SKN-GPG LD50 20000 mg kg-1

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H317 May cause an allergic skin reaction H319 Causes serious eye irritation H332 Harmful if inhaled H335 May cause respiratory irritation
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. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P264 Wash ... thoroughly after handling. P271 Use only outdoors or in a well-ventilated area.
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. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. 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 : 90 MHz in CDCl3

IR : liquid film

Mass

7. Synthesis Route

110-62-3Total: 150 Synthesis Route

71-41-0 95 Suppliers

110-62-3 43 Suppliers

71-41-0 95 Suppliers

96-47-9 101 Suppliers

110-62-3 43 Suppliers

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8. Precursor and Product

precursor:

71-41-0

74-80-6

product:

626-97-1

71-41-0

543-59-9

624-01-1

110-59-8

352-89-6

109-52-4

693-65-2

110-58-7

627-19-0

9. Computed Properties

Molecular Weight：86.13230g/mol
Molecular Formula：C₅H₁₀O
Compound Is Canonicalized：True
Exact Mass：1.1
XLogP3-AA：86.073164938
Monoisotopic Mass：86.073164938
Complexity：32.9
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：17.1
Heavy Atom Count：：6
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAAAIAAgQgAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: It finds it application in flavorings, resin chemistry, and rubber accelerators. Valeraldehyde is used as a gaseous standard in the study of the sorptive loss pattern for volatile compounds. Valeraldehyde is used as an intermediate in industrial settings in the production of valeric acid and amyl alcohol.

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Merck: 14,9902

BRN: 1616304

毒性: GRAS(FEMA~FDA，§172．515，2000)。

Description: Valeraldehyde is one of the key volatile flavor compounds identified in cooked rice, beef fish meat and uncured ham. Its smell is described as fermented, bready, fruity, nutty, berry.It is an alkyl aldehyde used in flavoring Compounds, resin chemistry, rubber accelerators.

Chemical Properties: Valeraldehyde is a colorless liquid with a strong acrid, pungent odor. The odor threshold is 0.028 ppm.Slightly soluble in water; soluble in alcohol and ether.

Chemical Properties: n-Valeraldehyde has a powerful, acrid, pungent odor. At low levels, the taste is warm, slightly fruity and nut-like.

Occurrence: Reported found among the constituents of several essential oils: Brazilian sassafras, Bulgarian rose, Bulgarian clary sage and others. Also in the distillates from leaves of various Eucalyptus species: E. cinereea, E. globulus, E. dives, E. maideni and E. hemilampra. Also reported found in fresh apple, banana, sweet cherry, black currant berries, fresh blackberry, Bantu beer, plum brandy, cardamom, coriander leaf, unprocessed rice, Bourbon vanilla, cooked shrimp, scallop, hog plum and clary sage. Also reported found in apricot, guava, grapes, raisin, melon, asparagus, carrot, celery, leek, peas, cooked potato, tomato, Scotch spearmint oil, nutmeg, mace, breads, many cheeses, butter, yogurt, milk, caviar, fatty fish, fish oil, cooked meats, beer, cognac, malt and Scotch whiskey, cider, white wine, tea, roasted filberts and pecans, popcorn, oat products, soybean, coconut oil, avocado, Arctic bramble, olive, beans, mushroom, starfruit, cauliflower, cardamom, coriander seed, rice, dill, lovage leaf, corn oil, sweet corn, laurel, malt, wort, kiwifruit, shrimp, crab, clam, scallop, pimento berry, maté and Roman chamomile oil.

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Uses: In food flavorings and in the acceleration of rubber vulcanization.

Uses: Valeraldehyde is used as a gaseous standard in the study of the sorptive loss pattern for volatile compounds.
Valeraldehyde has been used to study its time-weighted average sampling using solid-phase microextraction (SPME) device.
Valeraldehyde is used in flavoring compounds and as a rubber accelerator.

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Preparation: By distillation of calcium valerate and calcium formate; by reduction of n-valeric acid.

Definition: ChEBI: A fatty aldehyde composed from five carbons in a straight chain

Aroma threshold values: Detection: 12 to 100 ppb

Taste threshold values: Taste characteristics at 25 ppm: winey, fermented, bready and cocoa chocolate notes.

General Description: A colorless liquid. Slightly soluble in water and less dense than water. Flash point 54°F. Vapors heavier than air. Used to make artificial flavorings and rubber.

Air & Water Reactions: Highly flammable. Slightly soluble in water. Valeraldehyde may be sensitive to prolonged exposure to air.

Reactivity Profile: Valeraldehyde is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. Valeraldehyde is incompatible with oxidizing agents, strong bases and strong reducing agents.

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Health Hazard: n-Valeraldehyde is a moderate skin andeye irritant. At a high concentration theirritation may be severe; 100 mg/day wasseverely irritating on rabbits’ eyes. Pure liquidcaused severe irritation to guinea pigskin. The systemic toxicity of valeraldehydeis very low.
LD50 value, skin (rabbits): 4857 mg/kg
LD50 value, oral (rats): 3200 mg/kg
Inhalation toxicity is very low. Exposure to4000 ppm for air was lethal to rats.

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Fire Hazard: 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 or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

View all

Safety Profile: Moderately toxic by ingestion. Mddly toxic by inhalation and s h contact. A severe eye and skin irritant. A very dangerous fire hazard when exposed to heat or flame. %%en heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.

Potential Exposure: Valeraldehyde is used in food flavorings; in resin chemistry. It is also used in the acceleration of rubber vulcanization.

Carcinogenicity: n-Valeraldehyde caused chromosomal and DNA effects in mammalian cells in culture but was not mutagenic in an Ames bacterial test.

Shipping: UN2058 Valeraldehyde, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods: Purify pentanal via the bisulfite derivative (see 2-butanone above for the preparation and decomposition of the bisulfite derivative). [Birrell & Trotman-Dickinson J Chem Soc 2059 1960, Beilstein 1 H 676, 1 IV 3268.] The 2,4-dinitrophenylhydrazone [2057-84-3] M 266.3 has m 103-105o (from EtOH). [Beilstein 15 III/IV 429.]

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Incompatibilities: Vapor may form explosive mixture with air. 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, amines.

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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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13. Realated Product Infomation