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Phenethyl isobutyrate Structure

Phenethyl isobutyrate

Chemical Properties

Boiling point 250 °C (lit.)
Density  0.988 g/mL at 25 °C (lit.)
vapor pressure  3.626-45Pa at 25℃
refractive index  n20/D 1.4873(lit.)
FEMA  2862 | PHENETHYL ISOBUTYRATE
Flash point 227 °F
solubility  Insoluble in water
form  clear liquid
color  Colorless to light-yellow liquid
Odor fruity, rosy odor
Odor Type floral
biological source synthetic
Water Solubility  51-160mg/L at 20-25℃
JECFA Number 992
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey JDQVBGQWADMTAM-UHFFFAOYSA-N
SMILES CC(C)C(=O)OCCc1ccccc1
LogP 3.5 at 35℃
CAS DataBase Reference 103-48-0(CAS DataBase Reference)
NIST Chemistry Reference Propanoic acid, 2-methyl-, 2-phenylethyl ester(103-48-0)
EPA Substance Registry System 2-Phenylethyl isobutyrate (103-48-0)

Safety Information

Safety Statements  24/25
WGK Germany  2
RTECS  NQ5435000
TSCA  TSCA listed
HS Code  29156000
Storage Class 13 - Non Combustible Solids
Toxicity LD50 orl-rat: 5200 mg/kg FCTXAV 16,637,78

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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