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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 ISOBUTYRATE

SMILES

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

InChI

InChIKey=JZCCYSDOUYQZMW-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-METHYLBENZYL ISOBUTYRATE
FHFI  
Systematic Name English
ISOBUTYRIC ACID, .ALPHA.-METHYLBENZYL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, 1-PHENYLETHYL ESTER
Common Name English
.ALPHA.-METHYLBENZYL 2-METHYLPROPANOATE
Systematic Name English
.ALPHA.-METHYLBENZYL ISOBUTYRATE [FHFI]
Common Name English
METHYLPHENYLCARBINYL ISOBUTYRATE
Common Name English
1-PHENYLETHYL ISOBUTYRATE
Systematic Name English
STYRALYL ISOBUTYRATE
Common Name English
FEMA NO. 2687
Code English
BENZYL ALCOHOL, .ALPHA.-METHYL-, ISOBUTYRATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
JECFA EVALUATION ALPHA-METHYLBENZYL ISOBUTYRATE
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
231-894-2
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50864119
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
CAS
7775-39-5
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
FDA UNII
K9REG8PIWP
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
SMS_ID
100000141118
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
793
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY
PUBCHEM
569214
Created by admin on Fri Dec 15 17:51:34 GMT 2023 , Edited by admin on Fri Dec 15 17:51:34 GMT 2023
PRIMARY