1-Phenylethyl butanoate

HCID 570574CAS 3460-44-4

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Basic information

Standard SMILES
CCCC(=O)OC(C)c1ccccc1
InChIKey
GGKADXREVJTZMF-UHFFFAOYSA-N
Molecular formula
C12H16O2
Average molar mass
192.258 g/mol
Monoisotopic mass
192.11502975

Names & identifiers

Preferred name
1-Phenylethyl butanoate
IUPAC
1-Phenylethyl butanoate
English name
FEMA 2686
Molecular formula
C12H16O2
Molecular weight
192.25

Names & synonyms

FEMA 2686STYRALYL BUTYRATESTYRALLYL BUTYRATEStyralyl blityrate1-phenylethylbutyratea-methylbenzylbutyrateMETHYL BENZYL BUTYRATE1-phenylethyl butanoateα-Methylbenzyl butyrateALPHA-METHYLBENZYL BUTYRATE

Database identifiers

CAS
3460-44-4
PubChem CID
570574
DTXSID
DTXSID00863177
ChEBI
CHEBI:179914
UNII
NP1Z2SN9NP
EC Number
222-409-5
Nikkaji
J155.064K

Properties

Physicochemical properties

Boiling point
83 · 83-84 °C3 mm Hg(lit.)
Density
0.99 g/mL · 0.99 g/mL at 25 °C(lit.)
FLAVIS Number
9.231 · 09.231 | 1-Phenethyl butyrate
refractive index
20 · n20/D 1.487(lit.)
FEMA
2686 · 2686 | ALPHA-METHYLBENZYL BUTYRATE
Flash point
229 °F · 229 °F

Safety & regulation

Safety data

PPE
Eyeshields, Gloves
wgk
3
Storage Class
10 - Combustible liquids

Chemistry & industry

Applications · 1 item

Descriptionα-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.

Preparation methods

PreparationFrom methylphenylcarbinol and n-butyric acid by esterification.

Upstream & downstream products

Suppliers33 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Additional notes

DefinitionChEBI: 1-Phenylethyl butyrate is a carboxylic ester. It is functionally related to a benzyl alcohol.

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