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Substance Name: 1,6-Hexanediol
RN: 629-11-8
UNII: ZIA319275I
InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
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Names and Synonyms

Name of Substance

  • 1,6-Hexanediol
  • Hexamethylene glycol

Synonyms

  • 1,6-Dihydroxyhexane
  • 4-01-00-02556 (Beilstein Handbook Reference)
  • AI3-03307
  • alpha,omega-Hexanediol
  • BRN 1633461
  • CCRIS 8982
  • EC 211-074-0
  • EINECS 211-074-0
  • HDO
  • Hexamethylene glycol
  • Hexamethylenediol
  • HSDB 6488
  • NSC 508
  • UNII-ZIA319275I

Systematic Names

  • 1,6-Hexanediol
  • Hexane-1,6-diol

Superlist Names

  • 1,6-Hexanediol
  • Hexamethylene glycol

Registry Numbers

CAS Registry Number

  • 629-11-8

FDA UNII

  • ZIA319275I

Other Registry Number

  • 140434-69-1

System Generated Number

  • 0000629118

Structure Descriptors

InChI

1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

InChIKey

XXMIOPMDWAUFGU-UHFFFAOYSA-N

Smiles

C(CCCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1738mg/kg (1738mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 3730mg/kg (3730mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45 deg C   EXP
Boiling Point 250 deg C   EXP
log P (octanol-water) 0.760 (none)   EST
Water Solubility 2.27E+04 mg/L 25 EST
Henry's Law Constant 2.23E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.