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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 BUTYRATE

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 Fri Dec 15 18:01:01 GMT 2023
Edited
by admin
on Fri Dec 15 18:01:01 GMT 2023
Record UNII
NP1Z2SN9NP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-METHYLBENZYL BUTYRATE
FHFI  
Systematic 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
FEMA NO. 2686
Code English
.ALPHA.-PHENETHYL BUTYRATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ALPHA-METHYLBENZYL BUTYRATE
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
Code System Code Type Description
FDA UNII
NP1Z2SN9NP
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY
CAS
3460-44-4
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY
JECFA MONOGRAPH
792
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-409-5
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY
PUBCHEM
570574
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID00863177
Created by admin on Fri Dec 15 18:01:01 GMT 2023 , Edited by admin on Fri Dec 15 18:01:01 GMT 2023
PRIMARY