Benzyl isovalerate Structure

Benzyl isovalerate

Chemical Properties

Boiling point 116 °C9 mm Hg(lit.)
Density  0.988 g/mL at 25 °C(lit.)
vapor pressure  4.74Pa at 25℃
FEMA  2152 | BENZYL ISOVALERATE
refractive index  n20/D 1.488(lit.)
FLAVIS Number 09.458 | Benzyl isovalerate
Flash point >230 °F
storage temp.  Store at room temperature
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. sweet fruity apple pineapple herbal
Odor Type fruity
biological source synthetic
Viscosity 20.14mm2/s
Water Solubility  238.219mg/L at 30℃
JECFA Number 845
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey HVJKZICIMIWFCP-UHFFFAOYSA-N
SMILES CC(C)CC(=O)OCc1ccccc1
LogP 3.26
CAS DataBase Reference 103-38-8(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) BENZYL ISOVALERATE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 87UKH01DMA
EPA Substance Registry System Butanoic acid, 3-methyl-, phenylmethyl ester (103-38-8)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Risk Statements  36/38
Safety Statements  24/25-37-26
WGK Germany  2
RTECS  NY1415000
TSCA  TSCA listed
HS Code  29156000
Storage Class 10 - Combustible liquids
Toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Moreno, 1974).
NFPA 704:
2
1 0

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