105-54-4

Name Ethyl butyrate
CAS 105-54-4
EINECS(EC#) 203-306-4
Molecular Formula C6H12O2
MDL Number MFCD00009394
Molecular Weight 116.16
MOL File 105-54-4.mol

Chemical Properties

Appearance Ethyl butyrate is a colorless liquid. Pineapple odor. The Odor Threshold is 0.015 ppm.
Melting point  -93 °C (lit.)
Boiling point  120 °C (lit.)
density  0.875 g/mL at 25 °C(lit.)
vapor density  4 (vs air)
vapor pressure  15.5 mm Hg ( 25 °C)
FEMA  2427
refractive index  n20/D 1.392(lit.)
Fp  67 °F
storage temp.  Flammables area
solubility  Soluble in propylene glycol, paraffin oil, and kerosene.
form  Liquid
color  Clear colorless
Odor Like apple or pineapple.
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases.
biological source synthetic
Odor Threshold 0.00004ppm
Odor Type fruity
Water Solubility  practically insoluble
Specific Heat Capacity Cp(liquid):228J/(g·K),at 25℃
Thermal Conductivity 0.131 W/(m·K) at 25 ℃
JECFA Number 29
Merck  14,3775
BRN  506331
Henry's Law Constant 2.5×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 5.1(20℃)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey OBNCKNCVKJNDBV-UHFFFAOYSA-N
SMILES CCCC(=O)OCC
LogP 2.433 at 25℃
Surface tension 22.356mN/m at 298.15K
CAS DataBase Reference 105-54-4(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, ethyl ester(105-54-4)
EPA Substance Registry System 105-54-4(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 1180 3/PG 3
WGK Germany  1
RTECS  ET1660000
Autoignition Temperature 865 °F
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29156000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Safety Profile
Wdly toxic by ingestion. A skin irritant. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazardous Substances Data 105-54-4(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 13,050 mg/kg (Jenner)

Hazard Information

Material Safety Data Sheet(MSDS)

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