Name | benzyl isobutyrate |
Synonyms | benzyl isobutyrate Benzyl isobutyrate Benzyl isobutanoate Isobutyric acid b benzyl 2-methylpropanoate Isobutyric acid benzyl ester benzylesterkyselinyisomaselne Isobutyric acid benzyl ester Benzylester kyseliny isomaselne phenylmethyl 2-methylpropanoate 2-Methylpropionic acid benzyl ester 2-methylpropanoicacidphenylmethylester 2-methyl-propanoicaciphenylmethylester Propanoic acid, 2-methyl-, phenylmethyl ester |
CAS | 103-28-6 |
EINECS | 203-095-9 |
InChI | InChI=1/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
Molecular Formula | C11H14O2 |
Molar Mass | 178.23 |
Density | 1.003g/mLat 25°C(lit.) |
Boling Point | 238°C(lit.) |
Flash Point | 138°F |
JECFA Number | 844 |
Water Solubility | 989.48mg/L at 25℃ |
Vapor Presure | 5.7Pa at 25℃ |
Appearance | clear liquid |
Color | Colorless to Almost colorless |
BRN | 1869299 |
Refractive Index | n20/D 1.49(lit.) |
Physical and Chemical Properties | Density 0.99 |
Risk Codes | 10 - Flammable |
Safety Description | S16 - Keep away from sources of ignition. S24/25 - Avoid contact with skin and eyes. |
UN IDs | 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 |
FEMA | 2141 | BENZYL ISOBUTYRATE |
LogP | 2.99 at 25℃ |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | GB 2760-1996: allowed flavorants. It is mainly used for the preparation of the essence of the snake Berry and strawberry. |
production method | is obtained by esterification of benzyl alcohol and isobutyric acid. It is derived from benzyl alcohol and butyraldehyde under the catalysis of lead in ethanol. |