Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,5-Hexanediol
RN: 2935-44-6
InChIKey: OHMBHFSEKCCCBW-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,5-Hexanediol

Synonyms

  • 2,5-Dihydroxyhexane
  • 4-01-00-02562 (Beilstein Handbook Reference)
  • AI3-07556
  • BRN 1719248
  • Diisopropanol
  • EINECS 220-910-3
  • NSC 3699

Systematic Names

  • 2,4-Hexanediol
  • 2,5-Hexanediol

Superlist Name

  • 2,5-Hexanediol

Registry Numbers

CAS Registry Number

  • 2935-44-6

System Generated Number

  • 0002935446

Structure Descriptors

InChI

1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3

InChIKey

OHMBHFSEKCCCBW-UHFFFAOYSA-N

Smiles

C([C@@H](C)O)C[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4846mg/kg (4846mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 669, 1956.
rabbit LD50 skin 16300uL/kg (16.3mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LD50 oral 2gm/kg (2000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 218 deg C   EXP
log P (octanol-water) 0.620 (none)   EST
Atmospheric OH Rate Constant 2.01E-11 cm3/molecule-sec 25 EST

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