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Butyl acetate

Butyl acetate structure

CAS No:
123-86-4
Formula:
C6H12O2
Chemical Name:
Butyl acetate
Synonyms:
N-BUTYLACETATEESTER;BUTYLACETAT 85 P.;Essigsure-n-butylester;BUTYL ACETATE WITH GC;n-Butyl acetate, 99+%;n-Butyl acetate, Semiconductor Grade, 99% min;N-Butyl acetate, 99+%, extra pure;N-Butyl acetate, 99+%, for spectroscopy
Categories:
Specialty Chemicals

Description

Butyl acetate is a clear, flammable ester of acetic acid that occurs in n-, sec-, and tert- forms (INCHEM, 2005). Butyl acetate isomers have a fruity, banana-like odor (Furia, 1980). Isomers of butyl acetate are found in apples (Nicholas, 1973) and other fruits (Bisesi, 1994), as a well as in a number of food products, such as cheese, coffee, beer, roasted nuts, vinegar (Maarse and Visscher, 1989). Butyl acetate is manufactured via esterification of the respective alcohol with acetic acid or acetic anhydride (Bisesi, 1994). N-butyl acetate is used as a solvent for nitrocellulose-based lacquers, inks, and adhesives. Other uses include manufacture of artificial leathers, photographic film, safety glass, and plastics (Budavari, 1996). Isomers of butyl acetate are also used as flavoring agents, in manicure products, and as larvicides (Bisesi, 1994). The tert-isomer has been used as a gasoline additive (Budavari, 1996). It may be used as a synthetic fruit flavoring in candy, ice cream, cheeses, and baked goods (Dikshith, 2013).

Butyl acetate is a colorless or yellowish liquid with a strong fruity odor. burning and then sweet taste reminiscent of pineapple. It occurs in many fruits and is a constituent of apple aromas. Butyl acetate is incompatible with strong oxidizing agents, strong acids, and strong bases.There are 4 isomers. At 20 °C, the density of the n-butyl isomer is 0.8825 g/ cm3, and the density of the sec-isomer is 0.8758 g/cm3 (Bisesi, 1994). The n-butyl isomer is soluble in most hydrocarbons and acetone, and it is miscible with ethanol, ethyl ether, and chloroform (Haynes, 2010). It dissolves many plastics and resins (NIOSH, 1981).

ChEBI: Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.

A clear colorless liquid with a fruity odor. Flash point 72 - 88°F. Density 7.4 lb / gal (less than water). Hence floats on water. Vapors heavier than air.

Moderately toxic by intraperitoneal route. Mdly toxic by inhalation and ingestion. An experimental teratogen. A skin and severe eye irritant. Human systemic effects by inhalation: conjunctiva irritation, unspecified nasal and respiratory system effects. A mild allergen. High concentrations are irritating to eyes and respiratory tract and cause narcosis. Evidence of chronic systemic toxicity is inconclusive. Flammable liquid. Moderately explosive when exposed to flame. Ignites on contact with potassium tert-butoxide. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes. See also ESTERS.

Butyl acetate Basic Attributes

Molecular Weight：

116.16

BRN：

1741921

EC Number：

204-658-1

TSCA：

TSCA listed

Color/Form：

≤10(APHA)

HScode：

2915 33 00

Characteristics

λmax：

λ: 254 nm Amax: 1.0λ: 260 nm Amax: 0.20λ: 275 nm Amax: 0.04λ: 300 nm Amax: 0.02λ: 320-400 nm Amax: 0.01

Physical Properties：

Clear, colorless liquid with a strong fruity odor resembling bananas. Sweetish taste as low concentrations (<30 μg/L). Experimentally determined detection and recognition odor threshold concentrations were 30 μg/m3(6.3 ppbv) and 18 μg/m3(38 ppbv), respectively (Hellman and Small, 1974). Cometto-Muiz et al. (2000) reported nasal pungency threshold concentrations ranged from approximately 550 to 3,500 ppm.

Density：

0.88 g/mL at 25 °C (lit.)

Melting Point：

-78 °C (lit.)

Boiling Point：

124-126 °C (lit.)

Refractive Index：

n20/D1.394(lit.)

Water Solubility：

0.7 g/100 mL (20 ºC)

Vapor Pressure：

15 mm Hg ( 25 °C)

Vapor Density：

4 (vs air)

Toxicity：

LD50 orally in rats: 14.13 g/kg (Smyth)

Odor：

Characteristic; agreeable fruity (in low concentrations); non residual.

PH：

6.2 (5.3g/l, H2O, 20℃)(External MSDS)

Henrys Law Constant：

5.79 at 37 °C (static headspace-GC, van Ruth et al., 2001)

Air and Water Reactions：

Highly flammable. Very slightly soluble in water.

Reactivity Profile：

Butyl 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. Attacks many plastics. [Handling Chemicals Safely 1980. p. 233].

Autoignition Temperature：

790 °F

Critical Temperature & Pressure：

Store at +5°C to +30°C.

Safety Information

Packing level：

III

Hazard category：

wgk germany：

safety instructions：

25-S25

RTECS Number：

AF7350000

Storage features：

n-Butyl acetate should be kept stored in a segregated and approved area. Workers should keep the container in a cool, well-ventilated area, closed tightly, and sealed until ready for use. Workers should avoid all possible sources of ignition/spark at the workplace

Hazard Statements：

10-66-67-R67-R66-R10

Hazardous Reactivities：

All butyl acetates are incompatible with nitrates, strong oxidizers; strong alkalies; strong acids. Butyl acetates may form explosive mixture with air; reacts with water, on standing, to form acetic acid and n-butyl alcohol. Violent reaction with strong oxidizers and potassium-tert-butoxide. Dissolves rubber, many plastics, resins and some coatings. May accumulate static electrical charges, and may cause ignition of its vapors

RIDADR：

UN 1123 3/PG II/III (BUTYL ACETATES)

Fire Hazards：

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.

Toxicity

Human Exposure：

ACGIH:TLV-TWA 50 ppm (238 mg/m3); TLV-STEL 150 ppm (712 mg/m3)OSHA:PEL-TWA 150 ppm (710 mg/m3)NIOSH:REL-TWA 150 ppm; REL-STEL 200 ppm

Drug Information

Health Hazards：

The narcotic effects of n-butyl acetate isgreater than the lower alkyl esters of aceticacid. Also, the toxicities and irritant actionsare somewhat greater than n-propyl, iso propyl, and ethyl acetates. Exposure to its vapors at about 2000 ppm caused mild irritation of the eyes and salivation in test animals. A 4-hour exposure to 14,000 ppm wasfatal to guinea pigs. In humans, inhalation of 300-400 ppm of n-butyl acetate may produce moderate irritation of the eyes and throat, and headache.

Butyl acetate Use and Manufacturing

Uses

n-Butyl acetate is used in the manufactureof lacquers, plastics, photographic films, andartificial leathers.

Butyl acetate is one of the more important derivatives of n-butyl alcohol produced commercially, is employed as a solvent in rapid drying paints and coatings. In some instances, butyl acetate, C6H12O2, has replaced ethoxyethyl acetate due to the latter’s reported toxicity and teratogenicity.

Butyl Acetate is a flavoring agent which is a clear, colorless liquid possessing a fruity and strong odor. it is sparingly soluble in water and miscible in alcohol, ether, and propylene glycol. it is also termed n-butyl acetate.

Production

Butyl alcohol is combined with acetic acid in the presence of a catalyst such as sulfuric acid. After esterification is complete, the solution is distilled to yield butyl acetate .

Material

Vinyl acetate

Sodium carbonate

Ethanol

Acetic acid

1-Butanol

Downstream Products

Erythromycin

Toluene diisocyanate

Toluene 2,4-diisocyanate

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Acetato de Metilo

CAS No.: 123-86-4

Grade: Pharmaceutical Grade

Content: 99%

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