| Identification | More | [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 Properties | Back 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
| [storage temp. ]
Store at room temperature, keep dry and cool | [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 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 | [InChIKey]
UIKJRDSCEYGECG-UHFFFAOYSA-N | [SMILES]
CC(C)C(=O)OCc1ccccc1 | [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 Data | Back 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 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 | [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 |
| Hazard Information | Back 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 |
|
|