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Substance Name: Hexane-1,5-diol
RN: 928-40-5
InChIKey: UNVGBIALRHLALK-UHFFFAOYSA-N

Molecular Formula

  • C6-H14-O2

Molecular Weight

  • 118.175
 
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Names and Synonyms

Synonyms

  • 4-01-00-02556 (Beilstein Handbook Reference)
  • AI3-11556
  • BRN 1732705
  • EINECS 213-171-3

Systematic Name

  • Hexane-1,5-diol

Registry Numbers

CAS Registry Number

  • 928-40-5

System Generated Number

  • 0000928405

Structure Descriptors

InChI

1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3

InChIKey

UNVGBIALRHLALK-UHFFFAOYSA-N

Smiles

O[C@@H](CCCCO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 20gm/kg (20000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 237 deg C   EXP
log P (octanol-water) 0.690 (none)   EST
Atmospheric OH Rate Constant 1.71E-11 cm3/molecule-sec 25 EST

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