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123-86-4

Name Butyl acetate
CAS 123-86-4
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 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)

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)
IDLA 1,700 ppm

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