N-Butyl Acetate

Product Name:

N-Butyl acetate

CAS:

123-86-4

MF:

C6H12O2

MW:

116.16

EINECS:

204-658-1

Mol File:

123-86-4.mol

Melting point 

−78 °C(lit.)

Boiling point 

124-126 °C(lit.)

density 

0.88 g/mL at 25 °C(lit.)

vapor density 

4 (vs air)

vapor pressure 

15 mm Hg ( 25 °C)

refractive index 

n20/D 1.394(lit.)

FEMA 

2174 | BUTYL ACETATE

Fp 

74 °F

storage temp. 

Flammables area

solubility 

5.3g/l

form 

Liquid

color 

≤10(APHA)

Specific Gravity

0.883 (20/20℃)

PH

6.2 (5.3g/l, H2O, 20℃)(External MSDS)

Odor

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

Odor Threshold

0.016ppm

explosive limit

1.4-7.5%(V)

Water Solubility 

0.7 g/100 mL (20 ºC)

FreezingPoint 

-77.9℃

λmax

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

JECFA Number

127

Merck 

14,1535

BRN 

1741921

Henry's Law Constant

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

Exposure limits

TLV-TWA 150 ppm (～710 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 200 ppm (～950 mg/m3); IDLH 10,000 ppm (NIOSH).

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases.

InChIKey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

CAS DataBase Reference

123-86-4(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, butyl ester(123-86-4)

EPA Substance Registry System

n-Butyl acetate (123-86-4)

Risk Statements 

10-66-67-R67-R66-R10

Safety Statements 

25-S25

RIDADR 

UN 1123 3/PG 3

WGK Germany 

1

RTECS 

AF7350000

Autoignition Temperature

790 °F

TSCA 

Yes

HS Code 

2915 33 00

HazardClass 

3

PackingGroup 

III

Hazardous Substances Data

123-86-4(Hazardous Substances Data)

Toxicity

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

Chemical Properties

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).

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-Mu?iz et al. (2000) reported nasal pungency threshold concentrations ranged from approximately 550 to 3,500 ppm.

Uses

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

Uses

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.

Definition

ChEBI: The acetate ester of butanol.

Preparation

By esterification of n-butyl alcohol with acetic acid.

Production Methods

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 .

Aroma threshold values

Detection: 10 to 500 ppb

General Description

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.

Air & 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].

Hazard

Skin irritant, toxic. Flammable, moderate fire risk. Eye and upper respiratory tract irritant.

Health Hazard

Exposures to n-butyl acetate cause harmful effects that include, but are not limited to, coughing and shortness of breath. High concentrations have a narcotic effect, with symp toms such as sore throat, abdominal pain, nausea, vomiting, and diarrhea. High concen trations of n-butyl acetate cause severe poisoning. Prolonged periods of exposure cause adverse effects to the lungs, the nervous system, and the mucous membranes. Repeated skin contact causes skin dryness or cracking, and dermatitis.

Health Hazard

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.

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.

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: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile

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.

storage

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

Shipping

UN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.

Purification Methods

Distil, reflux with successive small portions of KMnO4 until the colour persists, dry with anhydrous CaSO4, filter and redistil. [Beilstein 2 IV 143.]

Raw materials

Etanol-->Acetic acid glacial-->Sodium carbonate-->1-Butanol-->Fatty acid (C10～C20)

Preparation Products

Acetyl ketene-->PAINT-->Polyurethane foams-->METHANE-->Erythromycin-->4-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE-->4-Nitrophenyl-beta-D-galactopyranoside-->4-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE-->TOLUENE DIISOCYANATE-->Potassium benzylpenicillin-->Penicillin G sodium salt-->4-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE-->Acesulfame-->complex polystyrene high efficiency anticorrosion paint-->leather seasoning agent DLC-1-->2-METHOXY-6-METHYL-4(1H)-PYRIMIDINONE-->Thymine-->scavenger of fabric maculae-->Cephalothin-->ACETOACETIC ACID N-BUTYL ESTER-->OXACILLIN SODIUM-->Anethole trithione-->Sineptina-->seasoning agent GS-1-->modified polyurethane seasoning agent