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ChemicalBook--->CAS DataBase List--->103-58-2

103-58-2

103-58-2 Structure

103-58-2 Structure
IdentificationBack Directory
[Name]

3-PHENYLPROPYL ISOBUTYRATE
[CAS]

103-58-2
[Synonyms]

FEMA 2893
3-phenylpropyl
3-Phenylpropylisobutyrat
HYDROCINNAMYL ISOBUTYRATE
3-PHENYLPROPYL ISOBUTYRATE
3-PHENYLPROPYL ISOBUTYRATE 98+%
ISOBUTYRIC ACID 3-PHENYLPROPYL ESTER
Isobutyricacid,3-phenyl-1-propylester
2-methyl-propanoicaci3-phenylpropylester
Propanoicacid,2-methyl-,3-phenylpropylester
2-Methylpropanoic acid 3-phenylpropyl ester
2-Methylpropionic acid 3-phenylpropyl ester
[EINECS(EC#)]

203-125-0
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00082227
[MOL File]

103-58-2.mol
[Molecular Weight]

206.28
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[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.)
[Fp ]

>230 °F
[solubility ]

Almost insoluble in water, soluble in alcohol and oils
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. fruity tropical apricot plum balsamic jammy honey bready osmanthus dried fruit
[biological source]

synthetic
[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)
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[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.
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

2
[RTECS ]

NQ5440000
[HS Code ]

2915.90.2000
Spectrum DetailBack Directory
[Spectrum Detail]

3-PHENYLPROPYL ISOBUTYRATE(103-58-2)MS
3-PHENYLPROPYL ISOBUTYRATE(103-58-2)1HNMR
3-PHENYLPROPYL ISOBUTYRATE(103-58-2)13CNMR
3-PHENYLPROPYL ISOBUTYRATE(103-58-2)IR1
3-PHENYLPROPYL ISOBUTYRATE(103-58-2)Raman
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