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: 2026-09-12 18:43:55

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)	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.