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Substance Name: 1,7-Heptanediol
RN: 629-30-1
InChIKey: SXCBDZAEHILGLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Name of Substance

  • 1,7-Heptanediol

Synonyms

  • 1,7-Dihydroxyheptane
  • 1,7-Heptanediol
  • 4-01-00-02580 (Beilstein Handbook Reference)
  • AI3-11199
  • alpha,omega-Heptanediol
  • BRN 1633482
  • EINECS 211-085-0
  • NSC 3821

Systematic Name

  • Heptane-1,7-diol

Registry Numbers

CAS Registry Number

  • 629-30-1

System Generated Number

  • 0000629301

Structure Descriptors

InChI

1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2

InChIKey

SXCBDZAEHILGLM-UHFFFAOYSA-N

Smiles

C(CCCO)CCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22.5 deg C   EXP
Boiling Point 262 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Atmospheric OH Rate Constant 1.54E-11 cm3/molecule-sec 25 EST

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