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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOVALERATE

SMILES

CC(C)CC(=O)OCC1=CC=CC=C1

InChI

InChIKey=HVJKZICIMIWFCP-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:55:54 GMT 2023
Edited
by admin
on Fri Dec 15 16:55:54 GMT 2023
Record UNII
87UKH01DMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ISOVALERATE
FCC   FHFI  
Systematic Name English
BENZYL ISOVALERATE [FHFI]
Common Name English
BENZYL ISOVALERIANATE
Common Name English
PHENYLMETHYL ISOVALERATE
Systematic Name English
BENZYL 3-METHYL BUTYRATE
Common Name English
BENZYL 3-METHYLBUTANOATE
Systematic Name English
BENZYL ISOVALERATE [FCC]
Common Name English
ISOVALERIC ACID, BENZYL ESTER
Common Name English
BUTANOIC ACID, 3-METHYL-, PHENYLMETHYL ESTER
Common Name English
FEMA NO. 2152
Code English
NSC-46124
Code English
BENZYL ISOPENTANOATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
JECFA EVALUATION BENZYL ISOVALERATE
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
Code System Code Type Description
CAS
103-38-8
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
PUBCHEM
7651
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID1047603
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
NSC
46124
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
FDA UNII
87UKH01DMA
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
JECFA MONOGRAPH
755
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-106-7
Created by admin on Fri Dec 15 16:55:54 GMT 2023 , Edited by admin on Fri Dec 15 16:55:54 GMT 2023
PRIMARY