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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL HEXANOATE

SMILES

CCCCCC(=O)OCC1=CC=CC=C1

InChI

InChIKey=HRSXWUSONDBHSP-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
BENZYL HEXANOATE
FHFI  
Systematic Name English
NSC-53964
Code English
BENZYL HEXANOATE [FHFI]
Common Name English
FEMA NO. 4026
Code English
HEXANOIC ACID, PHENYLMETHYL ESTER
Common Name English
BENZYL CAPROATE
Systematic Name English
HEXANOIC ACID, BENZYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BENZYL HEXANOATE
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
2038
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
FDA UNII
U7PS33DRSK
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
NSC
53964
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID60219474
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
230-068-9
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
CAS
6938-45-0
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY
PUBCHEM
23367
Created by admin on Fri Dec 15 17:57:29 GMT 2023 , Edited by admin on Fri Dec 15 17:57:29 GMT 2023
PRIMARY