ChemicalBook--->CAS DataBase List--->103-28-6

103-28-6

103-28-6 Structure

103-28-6 Structure
IdentificationMore
[Name]

Benzyl isobutyrate
[CAS]

103-28-6
[Synonyms]

BENZYL 2-METHYLPROPANOATE
BENZYL 2-METHYLPROPIONATE
Benzyl isobutanoate
BENZYL ISOBUTYRATE
FEMA 2141
ISOBUTYRIC ACID BENZYL ESTER
2-methylpropanoicacidphenylmethylester
2-methyl-propanoicaciphenylmethylester
Benzylester kyseliny isomaselne
benzylesterkyselinyisomaselne
Propanoic acid, 2-methyl-, phenylmethyl ester
Propanoicacid,2-methyl-,phenylmethylester
BENZYL ISOBUTYRATE 97+% FCC
Benzylisobutyrat
Benzyl isobutyrate, 98+%
BENZYL ISOBUTYRATE, NATURAL
1-(Benzyloxy)-2-methylpropanal
2-Methylpropanoic acid benzyl ester
2-Methylpropionic acid benzyl ester
[EINECS(EC#)]

203-095-9
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00048315
[Molecular Weight]

178.23
[MOL File]

103-28-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

238 °C(lit.)
[density ]

1.003 g/mL at 25 °C(lit.)
[vapor pressure ]

5.7Pa at 25℃
[FEMA ]

2141
[refractive index ]

n20/D 1.49(lit.)
[Fp ]

138 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. jasmin oily fruity sweet rose tropical
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

989.48mg/L at 25℃
[JECFA Number]

844
[BRN ]

1869299
[LogP]

2.99 at 25℃
[CAS DataBase Reference]

103-28-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanoic acid, 2-methyl-, phenylmethyl ester(103-28-6)
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, phenylmethyl ester (103-28-6)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

1
[RTECS ]

NQ4550000
[TSCA ]

Yes
[HS Code ]

29156000
[Toxicity]

The acute oral LD50 in rats was found to be 2850 mg/kg. The acute dermal LD50 was reported to be > 5 ml/kg in the rabbit
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyl alcohol-->Isobutyric acid-->Butyraldehyde
[Preparation Products]

Isobutyric acid-->Isobutyl isobutyrate
Hazard InformationBack Directory
[Chemical Properties]

Benzyl isobutyrate has a fresh, floral, somewhat jasmine-like, fruity odor and sweet, strawberry-like taste.
[Occurrence]

Reported found in mint, spearmint, beer, cherimoya (Annona cherimolia Mill.) and Passiflora edulis hybrid juice.
[Uses]

Useful in fruity-spicy-herbaceous fragrance types, in Gardenia, Jasmin, Rose bases, etc., in trace amounts or in higher concentration if used as a modifier for Benzyl acetate. Occasionally used in flavour compositions, mainly in imitation Banana, Raspberry, Strawberry, and in “Tutti-frutti” flavour. Concentrations are usually about 25 ppm in the finished product.
[Definition]

ChEBI: Phenylmethyl 2-methylpropanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
[Preparation]

May be prepared from benzyl alcohol and isobutyric acid, by the action of aluminum ethylate on a mixture of benzyl and butyric aldehydes.
[Taste threshold values]

Taste characteristics at 10 ppm: fruity and sweet with ripe berry nuances.
[Synthesis Reference(s)]

Synthesis, p. 1017, 1986 DOI: 10.1055/s-1986-31855
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

Benzyl isobutyrate(103-28-6)MS
Benzyl isobutyrate(103-28-6)1HNMR
Benzyl isobutyrate(103-28-6)13CNMR
Benzyl isobutyrate(103-28-6)IR1
Benzyl isobutyrate(103-28-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzyl isobutyrate, 98+%(103-28-6)
[Sigma Aldrich]

103-28-6(sigmaaldrich)
[TCI AMERICA]

Benzyl Isobutyrate,>98.0%(GC)(103-28-6)
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