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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H15ClO2
Molecular Weight 178.657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 6-chlorohexanoate

SMILES

CCOC(=O)CCCCCCl

InChI

InChIKey=QYZFPLZQMZFBAZ-UHFFFAOYSA-N
InChI=1S/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H15ClO2
Molecular Weight 178.657
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 Mon Mar 31 21:44:34 GMT 2025
Edited
by admin
on Mon Mar 31 21:44:34 GMT 2025
Record UNII
2WNC3VU7ZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Chlorohexanoic acid ethyl ester
Preferred Name English
Ethyl 6-chlorohexanoate
Systematic Name English
Hexanoic acid, 6-chloro-, ethyl ester
Systematic Name English
Caproic acid, ?-chloro-, ethyl ester
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
233-400-0
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
CAS
10140-96-2
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
FDA UNII
2WNC3VU7ZV
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
PUBCHEM
24999
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID50143911
Created by admin on Mon Mar 31 21:44:34 GMT 2025 , Edited by admin on Mon Mar 31 21:44:34 GMT 2025
PRIMARY