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123-86-4

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Identification

Name
Butyl acetate
CAS
123-86-4
Synonyms
ACETIC ACID BUTYL ESTER
ACETIC ACID N-BUTYL ESTER
BUTANYL ACETATE
BUTYL ACETATE
Butyl ethanoate
FEMA 2174
N-BUTYL ACETATE
1-Acetoxybutane
1-Butyl acetate
1-butylacetate
Acetate de butyle
acetatedebutyle
acetatedebutyle(french)
Butile
Butile(acetati di)
butile(acetatidi)
Butyl ester of acetic acid
Butyl ester, acetic acid
Butylacetat
Butylacetaten
EINECS(EC#)
204-658-1
Molecular Formula
C6H12O2
MDL Number
MFCD00009445
Molecular Weight
116.16
MOL File
123-86-4.mol

Chemical Properties

Description
n-Butyl acetate, also known as butyl ethanoate, is an organic compound commonly used as a solvent in the production of lacquers and other products. It is also used as a synthetic fruit flavouring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is found in many types of fruit, where along with other chemicals, it imparts characteristic flavours. Apples, especially of the Red Delicious variety, are flavoured in part by this chemical. It is a colourless flammable liquid with a sweet smell of banana.
Appearance
colourless liquid with a fruity odour
Appearance
Butyl acetates are colorless or yellowish liquids with pleasant, fruity odors. There are 4 isomers.
Melting point 
-78 °C (lit.)
mp 
−78 °C(lit.)

Boiling point 
124-126 °C (lit.)
bp 
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)

FEMA 
2174
refractive index 
n20/D 1.394(lit.)

Fp 
74 °F

storage temp. 
Flammables area
solubility 
5.3g/l
form 
Liquid
Specific Gravity
0.883 (20/20℃)
color 
≤10(APHA)

Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases.
PH
6.2 (5.3g/l, H2O, 20℃)(External MSDS)
Odor
Characteristic; agreeable fruity (in low concentrations); non residual.
explosive limit
1.4-7.5%(V)
Odor Threshold
0.016ppm
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).
InChIKey
DKPFZGUDAPQIHT-UHFFFAOYSA-N
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.
CAS DataBase Reference
123-86-4(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, butyl ester(123-86-4)
EPA Substance Registry System
123-86-4(EPA Substance)

Hazard Information

Chemical Properties
n-Butyl acetate is a clear, colorless, flammable liquid and vapor. It has a mild, fruity odor and is slightly soluble in water. n-Butyl acetate is incompatible with strong oxidizing agents, strong acids, and strong bases.
Chemical Properties
n-Butyl acetate, also known as butyl ethanoate, is an organic compound commonly used as a solvent in the production of lacquers and other products. It is also used as a synthetic fruit fl avoring in foods such as candy, ice cream, cheeses, and baked goods. Butyl acetate is found in many types of fruit, where along with other chemicals it imparts characteristic fl avors. Apples, especially of the Red Delicious variety, are fl avored in part by this chemi cal. It is a colorless flammable liquid with a sweet smell of banana.
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.
Reactivity Profile
BUTYL ACETATE(123-86-4) 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].
Air & Water Reactions
Highly flammable. Very slightly soluble in water.
Hazard
Skin irritant, toxic. Flammable, moderate fire risk. Eye and upper respiratory tract irritant.
Health Hazard
SKIN: prolonged or frequently repeated exposures may lead to drying. INHALATION: headaches, dizziness, nausea, irritation of respiratory passages and eyes.
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
Potential Exposure
n-Butyl acetate is an important solvent in the production of lacquers, leather and airplane dopes, and perfumes. It is used as a solvent and gasoline additive. sec-Butyl acetate is used as a widely used solvent for nitrocellulose, nail enamels and many different purposes. tert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume; and as a food additive. Isobutyl acetate is used as a solvent and in perfumes and artificial flavoring materials
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.
First aid
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least15 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 salt water and induce vomiting. Do not make an unconscious person vomit.
Shipping
UN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.
Incompatibilities
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
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.
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.
Occurrence
Reported present in rum ether, pears, pear brandy, cider, mango, mountain papaya (C. pubescens), soybean, roasted peanuts and honey and other natural products.
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 .
Preparation
By esterification of n-butyl alcohol with acetic acid.
Definition
ChEBI: The acetate ester of butanol.
Aroma threshold values
Detection: 10 to 500 ppb
Synthesis Reference(s)
Journal of the American Chemical Society, 73, p. 5265, 1951 DOI: 10.1021/ja01155a075
The Journal of Organic Chemistry, 39, p. 3728, 1974 DOI: 10.1021/jo00939a026
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.
Carcinogenicity
There are no indications of mutagenic or cytogenic effects for n-butyl acetate.
Source
Identified as a volatile constituent released by fresh coffee beans (Coffea canephora variety Robusta) at different stages of ripeness (Mathieu et al., 1998). Also identified among 139 volatile compounds identified in cantaloupe (Cucumis melo var. reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method (Beaulieu and Grimm, 2001).
Environmental Fate
Biological. Heukelekian and Rand (1955) reported a 5-d BOD value of 0.52 g/g which is 23.5% of the ThOD value of 2.21 g/g.
Photolytic. Butyl acetate reacts with OH radicals in the atmosphere at a rate constant of 4.15 x 10-12 cm3/molecule?sec at 296 K (Wallington et al., 1988b).
Chemical/Physical. Hydrolyzes in water forming 1-butanol and acetic acid. Estimated hydrolysis half-lives at 20 °C: 11.4 d at pH 9.0, 114 d at pH 8.0, and 3.1 yr at pH 7.0 (Mabey and Mill, 1978).
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 154 mg/L. The adsorbability of the carbon was 169 mg/g carbon (Guisti et al., 1974).
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.]

Safety Data

Risk Statements 
R10:Flammable.
R66:Repeated exposure may cause skin dryness or cracking.
R67:Vapors may cause drowsiness and dizziness.
Safety Statements 
S25:Avoid contact with eyes .
RIDADR 
UN 1123 3/PG 3

WGK Germany 
1

RTECS 
AF7350000

Autoignition Temperature
790 °F
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29153300
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
Precautions
On exposure to n-butyl acetate, immediately wash with plenty of water, also under the eyelids, for at least 15 min. Remove contact lenses. n-Butyl acetate is flammable in the pres ence of open flames, sparks, oxidizing materials, acids, and alkalis. It poses explosion risk in the presence of mechanical impact. For health safety, management authorities should provide exhaust ventilation facilities at the workplace to keep the airborne concentrations of vapors of n-butyl acetate below TLV
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.
Hazardous Substances Data
123-86-4(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 14.13 g/kg (Smyth)

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