140-26-1

Name FEMA 2871
CAS 140-26-1
EINECS(EC#) 205-406-3
Molecular Formula C13H18O2
MDL Number MFCD00044322
Molecular Weight 206.28
MOL File 140-26-1.mol
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Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Boiling point  268 °C(lit.)
density  0.974 g/mL at 25 °C(lit.)
vapor pressure  0.943Pa at 25℃
FEMA  2871
refractive index  n20/D 1.485(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Insoluble in water
form  clear liquid
color  Colorless to sltly yellow liquid
Odor fruity, rosy odor
biological source synthetic
Odor Type floral
JECFA Number 994
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey JIMGVOCOYZFDKB-UHFFFAOYSA-N
SMILES CC(C)CC(=O)OCCc1ccccc1
LogP 3.972
CAS DataBase Reference 140-26-1(CAS DataBase Reference)
EPA Substance Registry System Butanoic acid, 3-methyl-, 2-phenylethyl ester (140-26-1)
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Safety Data

Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  NY1511500
TSCA  TSCA listed
REACH Registrations Inactive
HS Code  29156000
Storage Class 10 - Combustible liquids
Safety Profile
Mddly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS
Toxicity
LD50 orl-rat: 6220 mg/kg VPITAR 33(5),48,74

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