| Identification | More | [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 | Back Directory | [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]
Butyl acetates are colorless or yellowish
liquids with pleasant, fruity odors. There are 4 isomers.
| [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)
| [FEMA ]
2174 | [refractive index ]
n20/D 1.394(lit.)
| [Fp ]
74 °F
| [storage temp. ]
Flammables area | [solubility ]
5.3g/l | [form ]
Liquid | [color ]
≤10(APHA)
| [Specific Gravity]
0.883 (20/20℃) | [Odor]
Characteristic; agreeable fruity (in low concentrations); non residual. | [PH]
6.2 (5.3g/l, H2O, 20℃)(External MSDS) | [Stability:]
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases. | [explosive limit]
1.4-7.5%(V) | [Odor Threshold]
0.016ppm | [Odor Type]
ethereal | [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) | [Dielectric constant]
5.0（20℃） | [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 | [LogP]
1.82-2.3 at 25℃ | [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 | Back Directory | [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]
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]
SKIN: prolonged or frequently repeated exposures may lead to drying. INHALATION: headaches, dizziness, nausea, irritation of respiratory passages and eyes. | [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. | [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 | [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 | [Flammability and Explosibility]
Flammable | [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. | [Biochem/physiol Actions]
Taste at 30 ppm | [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 | Back Directory | [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) | [IDLA]
1,700 ppm |
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