Acetic acid octyl ester Structure

Acetic acid octyl ester

Chemical Properties

Melting point -38.5°C
Boiling point 211 °C(lit.)
Density  0.868
vapor density  5.9 (vs air)
vapor pressure  29.1Pa at 25℃
FEMA  2806 | OCTYL ACETATE
refractive index  n20/D 1.418(lit.)
FLAVIS Number 09.007 | Octyl acetate
Flash point 187 °F
solubility  Very slightly soluble in water, soluble in alcohol and oils.
form  Liquid
color  Clear colorless
Specific Gravity 0.87
Odor orange-jasmine odor
explosive limit 8.14%
Odor Type floral
biological source synthetic
Viscosity 13.72mm2/s
Water Solubility  33.69mg/L at 25℃
JECFA Number 130
BRN  1754554
Henry's Law Constant 8.6×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey YLYBTZIQSIBWLI-UHFFFAOYSA-N
SMILES CCCCCCCCOC(C)=O
LogP 3.81
CAS DataBase Reference 112-14-1(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) OCTYL ACETATE
FDA UNII X0FN2J413S
NIST Chemistry Reference Acetic acid, octyl ester(112-14-1)
EPA Substance Registry System Acetic acid, octyl ester (112-14-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H227-H303
Precautionary statements P210e-P280a-P370+P378a-P403+P235-P501a
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  2
RTECS  AJ1400000
Autoignition Temperature 515 °F
TSCA  TSCA listed
HS Code  29153900
Storage Class 10 - Combustible liquids
Toxicity LD50 orl-rat: 3000 mg/kg AMIHBC 10,61,54
NFPA 704:
2
2 0

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