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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
 
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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

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

InChIKey

RHLVCLIPMVJYKS-UHFFFAOYSA-N

Smiles

C(CCCC)C(=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 Unpublished Report.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.