U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 BENZYL ISOBUTYRATE

SMILES

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

InChI

InChIKey=UIKJRDSCEYGECG-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:39:15 GMT 2023
Edited
by admin
on Fri Dec 15 17:39:15 GMT 2023
Record UNII
P98PE45V9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ISOBUTYRATE
FCC   FHFI  
Systematic Name English
BENZYL ISOBUTYRATE [FHFI]
Common Name English
BENZYL ISOBUTYRATE [FCC]
Common Name English
BENZYL 2-METHYL PROPIONATE
Common Name English
PHENYLMETHYL 2-METHYLPROPANOATE
Systematic Name English
NSC-406201
Code English
ISOBUTYRIC ACID, BENZYL ESTER
Common Name English
NSC-46112
Code English
PROPANOIC ACID, 2-METHYL-, PHENYLMETHYL ESTER
Common Name English
FEMA NO. 2141
Code English
BENZYL 2-METHYLPROPANOATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION BENZYL ISOBUTYRATE
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
203-095-9
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID6047602
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
FDA UNII
P98PE45V9M
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
CAS
103-28-6
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
SMS_ID
100000151542
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
EVMPD
SUB125807
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
JECFA MONOGRAPH
748
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
NSC
46112
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
PUBCHEM
7646
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY
NSC
406201
Created by admin on Fri Dec 15 17:39:15 GMT 2023 , Edited by admin on Fri Dec 15 17:39:15 GMT 2023
PRIMARY