1,2,6-HEXANETRIOL

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 Search

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	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10445708

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

Title	Date	PubMed
Dynamics and structure of hydrogen-bonding glass formers: comparison between hexanetriol and sugar alcohols based on dielectric relaxation.	2010-04	20481725
High-molecular-weight polymers for protein crystallization: poly-gamma-glutamic acid-based precipitants.	2008-09	18703844
Time and pH dependent colon specific, pulsatile delivery of theophylline for nocturnal asthma.	2007-01-02	16942847
Chiral direction and interconnection of helical three-connected networks in metal-organic frameworks.	2003-03-10	12611524
Stereoselective oxidation of aliphatic diols and reduction of hydroxy-ketones with galactitol dehydrogenase from Rhodobacter sphaeroides D.	2003	15296184
Controlled delivery of metoclopramide using an injectable semi-solid poly(ortho ester) for veterinary application.	2002-11-06	12429457

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:43:02 GMT 2025` Edited by `admin` on `Mon Mar 31 20:43:02 GMT 2025`
Record UNII	W45XXM0XWE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,6-HEXANETRIOL

Official Name

English

NSC-404957

Preferred Name

English

1,2,6-HEXANETRIOL [II]

Common Name

English

1,2,6-HEXANTRIOL

Systematic Name

English

1,2,6-TRIHYDROXYHEXANE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

482100