Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: 3-Octanone
RN: 106-68-3
UNII: 79173B4107
InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.2134
 
* 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-Octanone
  • Ethyl amyl ketone

Synonyms

  • 3-Octanone
  • 3-Octanone (natural)
  • 3-Oxooctane
  • 4-01-00-03341 (Beilstein Handbook Reference)
  • AI3-36116
  • Amyl ethyl ketone
  • BRN 1700021
  • CCRIS 8808
  • EAK
  • EINECS 203-423-0
  • Ethyl amyl ketone
  • Ethyl n-amyl ketone
  • Ethyl n-pentyl ketone
  • Ethyl pentyl ketone
  • FEMA No. 2803
  • HSDB 5371
  • n-Octanone-3
  • NSC 60161
  • UNII-79173B4107

Systematic Name

  • 3-Octanone

Superlist Names

  • 3-Octanone
  • Ethyl amyl ketone
  • Ethyl amyl ketone [UN2271] [Flammable liquid]
  • Ethyl n-amylketone
  • UN2271

Registry Numbers

CAS Registry Number

  • 106-68-3

FDA UNII

  • 79173B4107

System Generated Number

  • 0000106683

Structure Descriptors

InChI

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

InChIKey

RHLVCLIPMVJYKS-UHFFFAOYSA-N

Smiles

CCCCCC(=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 406mg/kg (406mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 167.5 deg C   EXP
log P (octanol-water) 2.220 (none)   EST
Water Solubility 2600 mg/L 20 EXP
Vapor Pressure 2 mm Hg 20 EXP
Henry's Law Constant 1.30E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.30E-12 cm3/molecule-sec 25 EST

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