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HomeProduct name list3-PHENYLPROPYL ISOBUTYRATE

3-PHENYLPROPYL ISOBUTYRATE

Synonym(s):3-Phenylpropyl 2-methylpropanoate;Hydrocinnamyl isobutyrate

  • CAS NO.:103-58-2
  • Empirical Formula: C13H18O2
  • Molecular Weight: 206.28
  • MDL number: MFCD00082227
  • EINECS: 203-125-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-04 20:11:12
3-PHENYLPROPYL ISOBUTYRATE Structural

What is 3-PHENYLPROPYL ISOBUTYRATE?

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.

The Uses of 3-PHENYLPROPYL ISOBUTYRATE

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.

Properties of 3-PHENYLPROPYL ISOBUTYRATE

Melting point: -60 °C
Boiling point: 282 °C (lit.)
Density  0.979 g/mL at 25 °C (lit.)
refractive index  n20/D 1.486(lit.)
FEMA  2893 | 3-PHENYLPROPYL ISOBUTYRATE
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
JECFA Number 640
CAS DataBase Reference 103-58-2
EPA Substance Registry System 3-Phenylpropyl isobutyrate (103-58-2)

Safety information for 3-PHENYLPROPYL ISOBUTYRATE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-PHENYLPROPYL ISOBUTYRATE

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