.ALPHA.-METHYLBENZYL BUTYRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-METHYLBENZYL BUTYRATE

Structure Search

SMILES

CCCC(=O)OC(C)C1=CC=CC=C1

InChI

InChIKey=GGKADXREVJTZMF-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:00:27 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:27 GMT 2025`
Record UNII	NP1Z2SN9NP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-METHYLBENZYL BUTYRATE

Systematic Name

English

FEMA NO. 2686

Preferred Name

English

.ALPHA.-METHYLBENZYL BUTYRATE [FHFI]

Common Name

English

METHYLPHENYLCARBINYL BUTYRATE

Common Name

English

1-PHENYLETHYL BUTANOATE

Systematic Name

English

BUTANOIC ACID, 1-PHENYLETHYL ESTER

Common Name

English

STYRALYL BUTYRATE

Common Name

English

BUTYRIC ACID, .ALPHA.-METHYLBENZYL ESTER

Common Name

English

.ALPHA.-PHENETHYL BUTYRATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

ALPHA-METHYLBENZYL BUTYRATE

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

Code System Code Type Description

FDA UNII

NP1Z2SN9NP

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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CAS

3460-44-4

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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JECFA MONOGRAPH

792

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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ECHA (EC/EINECS)

222-409-5

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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SMS_ID

300000054235

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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PUBCHEM

570574

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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EPA CompTox

DTXSID00863177

Created by admin on Mon Mar 31 19:00:27 GMT 2025 , Edited by admin on Mon Mar 31 19:00:27 GMT 2025

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