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

Details

Stereochemistry RACEMIC
Molecular Formula C6H14O3
Molecular Weight 134.1736
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,6-HEXANETRIOL

SMILES

OCCCCC(O)CO

InChI

InChIKey=ZWVMLYRJXORSEP-UHFFFAOYSA-N
InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2

HIDE SMILES / InChI

Molecular Formula C6H14O3
Molecular Weight 134.1736
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

1,2,6-Hexanetriol is used as moisturizing agent (creams), as solvent (pharmaceuticals) and as crosslinker in plastics. There was mentioned, that this compound in fluocinonide cream could cause allergic contact dermatitis.

Approval Year

PubMed

PubMed

TitleDatePubMed
Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.
2003
Chiral direction and interconnection of helical three-connected networks in metal-organic frameworks.
2003 Mar 10
Time and pH dependent colon specific, pulsatile delivery of theophylline for nocturnal asthma.
2007 Jan 2
High-molecular-weight polymers for protein crystallization: poly-gamma-glutamic acid-based precipitants.
2008 Sep
Dynamics and structure of hydrogen-bonding glass formers: comparison between hexanetriol and sugar alcohols based on dielectric relaxation.
2010 Apr
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:02:03 GMT 2023
Edited
by admin
on Sat Dec 16 01:02:03 GMT 2023
Record UNII
W45XXM0XWE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,6-HEXANETRIOL
II   INCI  
INCI  
Official Name English
1,2,6-HEXANETRIOL [II]
Common Name English
1,2,6-HEXANTRIOL
Systematic Name English
1,2,6-TRIHYDROXYHEXANE
Systematic Name English
NSC-404957
Code English
1,2,6-HEXANETRIOL [INCI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 482100
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
Code System Code Type Description
EVMPD
SUB120669
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
CONCEPT Industrial Aid
CAS
106-69-4
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
NCI_THESAURUS
C75638
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
SMS_ID
100000143946
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
WIKIPEDIA
1,2,6-Hexanetriol
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
NSC
404957
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
RXCUI
1362577
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY RxNorm
PUBCHEM
7823
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-424-6
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
FDA UNII
W45XXM0XWE
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID0041224
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY
DAILYMED
W45XXM0XWE
Created by admin on Sat Dec 16 01:02:03 GMT 2023 , Edited by admin on Sat Dec 16 01:02:03 GMT 2023
PRIMARY