Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Heptanol
RN: 589-82-2
UNII: 12YBT48HMK
InChIKey: RZKSECIXORKHQS-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O

Molecular Weight

  • 116.202
 
* 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

  • 3-Heptanol

Synonyms

  • 3-Heptanol
  • 3-Hydroxyheptane
  • 4-01-00-01741 (Beilstein Handbook Reference)
  • AI3-21994
  • BRN 1719067
  • Butyl ethyl carbinol
  • EINECS 209-661-1
  • Ethyl butyl carbinol
  • FEMA No. 3547
  • NSC 2586
  • UNII-12YBT48HMK

Systematic Name

  • 3-Heptanol

Superlist Name

  • 3-Heptanol

Registry Numbers

CAS Registry Number

  • 589-82-2

FDA UNII

  • 12YBT48HMK

Other Registry Number

  • 40617-58-1

System Generated Number

  • 0000589822

Structure Descriptors

InChI

1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

InChIKey

RZKSECIXORKHQS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4360uL/kg (4.36mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 1870mg/kg (1870mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.24 (none)   EXP
Water Solubility 4000 mg/L 25 EXP
Vapor Pressure 0.74 mm Hg 22 EXP
Henry's Law Constant 2.83E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

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