ChemicalBook--->CAS DataBase List--->626-38-0

626-38-0

626-38-0 Structure

626-38-0 Structure
IdentificationBack Directory
[Name]

1-METHYLBUTYL ACETATE
[CAS]

626-38-0
[Synonyms]

sec-Amyl acetate
2-Acetoxypentane
SEC-PENTYL ACETATE
2-Pentanol, acetate
pentan-2-yl acetate
pentan-2-yl ethanoate
1-METHYLBUTYL ACETATE
ACETIC ACID-2-PENTYL ESTER
2-Amylester kyseliny octove
Acetic acid 1-methylbutyl ester
Ethanoic acid 1-methylbutyl ester
[EINECS(EC#)]

210-946-8
[Molecular Formula]

C7H14O2
[MDL Number]

MFCD00027906
[MOL File]

626-38-0.mol
[Molecular Weight]

130.18
Chemical PropertiesBack Directory
[Appearance]

All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids.
[Melting point ]

-74.65°C (estimate)
[Boiling point ]

134.85°C
[density ]

0.8628
[vapor pressure ]

10 at 35.2 °C (estimated, Weast, 1986)
[FEMA ]

4012 | 2-PENTYL ACETATE
[refractive index ]

1.3969
[solubility ]

Soluble in alcohol, ether (Weast, 1986), and many other organic solvents including esters and glycols.
[form ]

Liquid
[Odor]

at 100.00 %. herbal weedy musty green vegetable nut skin beany ketonic animal
[Odor Type]

herbal
[Water Solubility ]

2.2 g/L at 25 °C (Montgomery, 1989)
[JECFA Number]

1146
[Henry's Law Constant]

(x 10-4 atm?m3/mol): 7.7 at 25 °C (approximate - calculated from water solubility and vapor pressure)
[Exposure limits]

NIOSH REL: TWA 125 ppm (650 mg/m3), IDLH 1,000 ppm; OSHA PEL: TWA 125 ppm; ACGIH TLV: TWA 125 ppm with intended TWA and STEL values of 50 and 100 ppm, respectively.
[Stability:]

Volatile
[LogP]

2.12
[Uses]

Solvent for nitrocellulose and ethyl cellulose, cements, coated paper, lacquers, leather finishes, nail enamels, plastic wood, textile sizing, and print- ing compounds.
[EPA Substance Registry System]

sec-Amyl acetate (626-38-0)
Safety DataBack Directory
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

UN 1104 3/PG 3
[HazardClass ]

3.2
[PackingGroup ]

III
[Safety Profile]

Mildly toxic by inhalation. Human systemic effects by inhalation: conjunctiva irritation. Dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials. Moderately explosive in the form of vapor when exposed to heat or flame. To fight fire, use alcohol foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

626-38-0(Hazardous Substances Data)
[IDLA]

1,000 ppm
Hazard InformationBack Directory
[General Description]

Colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor.
[Air & Water Reactions]

Highly flammable. Slightly water soluble.
[Reactivity Profile]

1-METHYLBUTYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. 1-METHYLBUTYL ACETATE is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids .
[Health Hazard]

INHALATION AND INGESTION: Irritates the mucous membrane, depresses the central nervous system, and is a narcotic. Damage to kidney, liver, and lung can occur. Ingestion may irritate gastro-intestinal tract. EYES: Irritation. Skin: Irritation.
[Hazard]

Flammable, moderate fire risk. Toxic. Upper respiratory tract irritant.
[Potential Exposure]

(n-isomer): Primary irritant (w/o allergic reaction), (sec-isomer) Human Data. Amyl acetates are used as industrial solvents and in the manufacturing and dry-cleaning industry; making artificial fruit-flavoring agents; cements, coated papers, lacquers; in medications as an inflammatory agent; pet repellents, insecticides and miticide. Many other uses.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.
[Incompatibilities]

Vapors 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, nitrates. May soften certain plastics.
[Chemical Properties]

2-Pentyl acetate has an herbaceous odor.
[Chemical Properties]

All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids.
[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. In accordance with 40CFR165, follow recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.
[Physical properties]

Clear, colorless liquid with a fruity odor. Odor threshold concentration is 2.0 ppb (quoted, Amoore and Hautala, 1983).
[Occurrence]

Reportedly present in over 50 products including apple, apple juice, grape (muscat), apricot, banana, cherry, guava, melon, peach, blackberry, pear, strawberry, nectarine, potato, tomato, cocoa liquor, and vinegar.
[Definition]

ChEBI: 2-Pentanol acetate is a carboxylic ester.
[Preparation]

Prepared from alcohols using acetic acid as an acetylating agent and clays as catalysts (patented process).
[Aroma threshold values]

Detection at 0.001 to 0.002 ppm (water)
[Environmental Fate]

Chemical/Physical. Slowly hydrolyzes in water forming acetic acid and 2-pentanol.
Spectrum DetailBack Directory
[Spectrum Detail]

1-METHYLBUTYL ACETATE(626-38-0)MS
1-METHYLBUTYL ACETATE(626-38-0)1HNMR
1-METHYLBUTYL ACETATE(626-38-0)13CNMR
1-METHYLBUTYL ACETATE(626-38-0)IR1
1-METHYLBUTYL ACETATE(626-38-0)Raman
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