ChemicalBook--->CAS DataBase List--->3460-44-4

3460-44-4

3460-44-4 Structure

3460-44-4 Structure
IdentificationBack Directory
[Name]

FEMA 2686
[CAS]

3460-44-4
[Synonyms]

FEMA 2686
STYRALYL BUTYRATE
STYRALLYL BUTYRATE
Styralyl blityrate
1-phenylethylbutyrate
METHYL BENZYL BUTYRATE
a-methylbenzylbutyrate
α-Methylbenzyl butyrate
1-phenylethyl butanoate
ALPHA-METHYLBENZYL BUTYRATE
butanoicacid,1-phenylethylester
ALPHA-METHYLBENZYL BUTYRATE 99+%
alpha-Methylbenzyl butyrate >=98%
Butanoicacid,1-phenylethylester(9CI)
[EINECS(EC#)]

222-409-5
[Molecular Formula]

C12H16O2
[MDL Number]

MFCD00209534
[MOL File]

3460-44-4.mol
[Molecular Weight]

192.25
Chemical PropertiesBack Directory
[Boiling point ]

83-84 °C3 mm Hg(lit.)
[density ]

0.99 g/mL at 25 °C(lit.)
[FEMA ]

2686 | ALPHA-METHYLBENZYL BUTYRATE
[refractive index ]

n20/D 1.487(lit.)
[Fp ]

229 °F
[Odor]

at 100.00 %. sweet fruity berry juicy earthy floral jasmin
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

803
[Major Application]

flavors and fragrances
[InChI]

1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
[InChIKey]

GGKADXREVJTZMF-UHFFFAOYSA-N
[SMILES]

CCCC(=O)OC(C)c1ccccc1
[LogP]

3.34
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyric Acid-->alpha-Methylbenzyl alcohol
Hazard InformationBack Directory
[Description]

α-Methylbenzyl butyrate has a fruital-floral, jasmine-like odor and apricot/apple-like flavor notes. May be prepared from methylphenylcarbinol and n-butyric acid by esterification.
A sibirica oil is obtained by steam distillation of the needles and twigs of Siberian fir. The oil is an almost colorless to very slightly yellow liquid with a fragrant, pine-like odor and pungent taste.
[Chemical Properties]

α-Methylbenzyl butyrate has a fruital–floral, jasmine-like odor and an apricot/apple-like flavor notes.
[Definition]

ChEBI: 1-Phenylethyl butyrate is a carboxylic ester. It is functionally related to a benzyl alcohol.
[Preparation]

From methylphenylcarbinol and n-butyric acid by esterification.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2686(3460-44-4)1HNMR
FEMA 2686(3460-44-4)IR
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