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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H30O
Molecular Weight 214.3874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYL-1-OCTANOL

SMILES

CCCCCCC(CO)CCCCCC

InChI

InChIKey=QNMCWJOEQBZQHB-UHFFFAOYSA-N
InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H30O
Molecular Weight 214.3874
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 Sat Dec 16 09:04:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:07 GMT 2023
Record UNII
5D8007Z3JI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXYL-1-OCTANOL
Systematic Name English
1-OCTANOL, 2-HEXYL-
Systematic Name English
2-HEXYLOCTAN-1-OL
Systematic Name English
2-HEXYLOCTYL ALCOHOL
Systematic Name English
2-HEXYLOCTANOL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
606-381-5
Created by admin on Sat Dec 16 09:04:07 GMT 2023 , Edited by admin on Sat Dec 16 09:04:07 GMT 2023
PRIMARY
CAS
19780-79-1
Created by admin on Sat Dec 16 09:04:07 GMT 2023 , Edited by admin on Sat Dec 16 09:04:07 GMT 2023
PRIMARY
PUBCHEM
545551
Created by admin on Sat Dec 16 09:04:07 GMT 2023 , Edited by admin on Sat Dec 16 09:04:07 GMT 2023
PRIMARY
FDA UNII
5D8007Z3JI
Created by admin on Sat Dec 16 09:04:07 GMT 2023 , Edited by admin on Sat Dec 16 09:04:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID20337921
Created by admin on Sat Dec 16 09:04:07 GMT 2023 , Edited by admin on Sat Dec 16 09:04:07 GMT 2023
PRIMARY