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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

Molecular Formula C13H18O2
Molecular Weight 206.2808
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 Mon Mar 31 18:57:47 GMT 2025
Edited
by admin
on Mon Mar 31 18:57:47 GMT 2025
Record UNII
U7PS33DRSK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL HEXANOATE
FHFI  
Systematic Name English
FEMA NO. 4026
Preferred Name English
NSC-53964
Code English
BENZYL HEXANOATE [FHFI]
Common Name 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 Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
Code System Code Type Description
JECFA MONOGRAPH
2038
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
FDA UNII
U7PS33DRSK
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
NSC
53964
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID60219474
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-068-9
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
CAS
6938-45-0
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY
PUBCHEM
23367
Created by admin on Mon Mar 31 18:57:47 GMT 2025 , Edited by admin on Mon Mar 31 18:57:47 GMT 2025
PRIMARY