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3-PHENYLPROPYL ISOBUTYRATE

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3-PHENYLPROPYL ISOBUTYRATE Basic information

Product Name:
3-PHENYLPROPYL ISOBUTYRATE
Synonyms:
  • 3-PHENYLPROPYL ISOBUTYRATE
  • 2-methyl-propanoicaci3-phenylpropylester
  • FEMA 2893
  • HYDROCINNAMYL ISOBUTYRATE
  • ISOBUTYRIC ACID 3-PHENYLPROPYL ESTER
  • 3-phenylpropyl
  • Isobutyricacid,3-phenyl-1-propylester
  • Propanoicacid,2-methyl-,3-phenylpropylester
CAS:
103-58-2
MF:
C13H18O2
MW:
206.28
EINECS:
203-125-0
Mol File:
103-58-2.mol
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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
Odor Type
fruity
JECFA Number
640
LogP
3.75
CAS DataBase Reference
103-58-2
EPA Substance Registry System
3-Phenylpropyl isobutyrate (103-58-2)
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Safety Information

Safety Statements 
24/25
WGK Germany 
2
RTECS 
NQ5440000
HS Code 
2915.90.2000

MSDS

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3-PHENYLPROPYL ISOBUTYRATE Usage And Synthesis

Chemical Properties

CLEAR COLOURLESS LIQUID

Chemical Properties

3-Phenylpropyl isobutyrate has a sweet, balsamic odor and a bittersweet flavor reminiscent of peach. It has a finer and fresher odor than the corresponding n-butyrate.

Uses

3-Phenylpropyl isobutyrate finds some use in Jasmin compositions, partly as a modifier for Benzyl-isobutyrate, partly as a supporting note for fruity-balsarnic ingredients. It works well with Styrax, which tends to produce a rather "dead" note in floral compositions.
3-Phenylpropyl isobutyrate also finds use in flavor compositions, mainly in imitation Apple, Apricot, Peach, Pear, Pineapple, Plum, Quince, etc. and the concentration used is equivalent to about 1 to 5 ppm in the finished product.

Preparation

By esterification of hydrocinnamic alcohol with n-butyric acid.

General Description

3-Phenylpropyl isobutyrate belongs to the cinnamyl phenylpropyl group of fragrance materials. It is the key volatile constituent of Roman camomile essential oil.

3-PHENYLPROPYL ISOBUTYRATESupplier

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