FEMA 2871 Structure

FEMA 2871

Chemical Properties

Boiling point 268 °C(lit.)
Density  0.974 g/mL at 25 °C(lit.)
vapor pressure  0.943Pa at 25℃
refractive index  n20/D 1.485(lit.)
FEMA  2871 | PHENETHYL ISOVALERATE
FLAVIS Number 09.466 | Phenethyl isovalerate
Flash point >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
Odor Type floral
biological source synthetic
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)
Substances Added to Food (formerly EAFUS) PHENETHYL ISOVALERATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII K86JE60K0L
EPA Substance Registry System Butanoic acid, 3-methyl-, 2-phenylethyl ester (140-26-1)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H335
Precautionary statements P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety Statements  24/25
WGK Germany  1
RTECS  NY1511500
TSCA  TSCA listed
HS Code  29156000
Storage Class 10 - Combustible liquids
Toxicity LD50 orl-rat: 6220 mg/kg VPITAR 33(5),48,74
NFPA 704:
0
1 0

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