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Details

Stereochemistry RACEMIC
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-HEXANEDIOL

SMILES

CCCC(O)CCO

InChI

InChIKey=AVIYEYCFMVPYST-UHFFFAOYSA-N
InChI=1S/C6H14O2/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H14O2
Molecular Weight 118.1742
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Engineering Corynebacterium glutamicum for isobutanol production.
2010-07
Gene expression analysis of in vivo fluorescent cells.
2007-11-07
Acetone butanol ethanol (ABE) production from concentrated substrate: reduction in substrate inhibition by fed-batch technique and product inhibition by gas stripping.
2004-02
Butanol production by Clostridium beijerinckii BA101 in an immobilized cell biofilm reactor: increase in sugar utilization.
2002
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:56:39 GMT 2025
Edited
by admin
on Mon Mar 31 19:56:39 GMT 2025
Record UNII
H3X88I4M49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-HEXANEDIOL
Systematic Name English
(±)-1,3-HEXANEDIOL
Preferred Name English
Code System Code Type Description
FDA UNII
H3X88I4M49
Created by admin on Mon Mar 31 19:56:39 GMT 2025 , Edited by admin on Mon Mar 31 19:56:39 GMT 2025
PRIMARY
PUBCHEM
210704
Created by admin on Mon Mar 31 19:56:39 GMT 2025 , Edited by admin on Mon Mar 31 19:56:39 GMT 2025
PRIMARY
CAS
21531-91-9
Created by admin on Mon Mar 31 19:56:39 GMT 2025 , Edited by admin on Mon Mar 31 19:56:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID20944139
Created by admin on Mon Mar 31 19:56:39 GMT 2025 , Edited by admin on Mon Mar 31 19:56:39 GMT 2025
PRIMARY