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 ISOBUTYL BENZOATE

SMILES

CC(C)COC(=O)C1=CC=CC=C1

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOBUTYL BENZOATE
FHFI   INCI  
INCI  
Official Name English
2-METHYLPROPYL BENZOATE
Systematic Name English
BENZOIC ACID, 2-METHYLPROPYL ESTER
Common Name English
FEMA NO. 2185
Code English
BENZOIC ACID ISO-BUTYL ESTER
Systematic Name English
ISOBUTYL BENZOATE [INCI]
Common Name English
NSC-6580
Code English
ISOBUTYL BENZOATE [FHFI]
Common Name English
BENZOIC ACID, ISOBUTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL BENZOATE
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
Code System Code Type Description
NSC
6580
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-401-3
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
JECFA MONOGRAPH
756
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID6047074
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
CAS
120-50-3
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
PUBCHEM
61048
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
FDA UNII
KQ6XZ9WJII
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY
CHEBI
87500
Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023
PRIMARY