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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-PHENYLBUTYRATE

SMILES

COC(=O)CCCC1=CC=CC=C1

InChI

InChIKey=YRYZGVBKMWFWGT-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 4-PHENYLBUTYRATE
FHFI  
Systematic Name English
METHYL BENZENEBUTANOATE
Systematic Name English
METHYL .GAMMA.-PHENYLBUTYRATE
Systematic Name English
BENZENEBUTANOIC ACID, METHYL ESTER
Common Name English
METHYL 4-PHENYLBUTYRATE [FHFI]
Common Name English
METHYL 4-PHENYLBUTANOATE
Systematic Name English
FEMA NO. 2739
Code English
NSC-133895
Code English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
JECFA EVALUATION METHYL 4-PHENYLBUTYRATE
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
Code System Code Type Description
PUBCHEM
281254
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID90174421
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
NSC
133895
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
JECFA MONOGRAPH
1452
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
CAS
2046-17-5
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-067-1
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY
FDA UNII
YMR11U800F
Created by admin on Fri Dec 15 21:17:21 GMT 2023 , Edited by admin on Fri Dec 15 21:17:21 GMT 2023
PRIMARY