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3-PHENYLPROPYL ISOBUTYRATE Structure

3-PHENYLPROPYL ISOBUTYRATE

Chemical Properties

Melting point -60 °C
Boiling point 282 °C (lit.)
Density  0.979 g/mL at 25 °C (lit.)
FEMA  2893 | 3-PHENYLPROPYL ISOBUTYRATE
refractive index  n20/D 1.486(lit.)
Flash point >230 °F
solubility  Almost insoluble in water, soluble in alcohol and oils
form  clear liquid
color  Colorless to Almost colorless
Odor Fruity-balsamic, tenacious, but refreshingly sweet odor
biological source synthetic
Odor Type fruity
JECFA Number 640
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey VBTAKMZSMFMLGT-UHFFFAOYSA-N
SMILES CC(C)C(=O)OCCCc1ccccc1
LogP 3.75
CAS DataBase Reference 103-58-2
EPA Substance Registry System 3-Phenylpropyl isobutyrate (103-58-2)

Safety Information

Safety Statements  24/25
WGK Germany  2
RTECS  NQ5440000
TSCA  TSCA listed
HS Code  2915.90.2000
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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