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Substance Name: 3-Hexanone
RN: 589-38-8
UNII: P601A79G79

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.16
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Names and Synonyms

Name of Substance

  • 3-Hexanone


  • 3-Hexanone
  • 3-Hexanone (natural)
  • 3-Oxohexane
  • 4-01-00-03301 (Beilstein Handbook Reference)
  • Aethylpropylketon
  • Aethylpropylketon [German]
  • BRN 1738025
  • EINECS 209-645-4
  • Ethyl propyl ketone
  • FEMA No. 3290
  • UNII-P601A79G79

Systematic Name

  • 3-Hexanone

Superlist Name

  • 3-Hexanone

Registry Numbers

CAS Registry Number

  • 589-38-8


  • P601A79G79

System Generated Number

  • 0000589388

Structure Descriptors








Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 700mg/kg (700mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) "Studien uber die Pharmakologie des Pinakolins und einiger seiner Derivate mit besonderer Berucksichtigung der Kreislaufwirkung, Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen Instituts, Stockholm, Sweden, 1934Vol. -, Pg. -, 1934.
rabbit LD50 skin 3170uL/kg (3.17mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LCLo inhalation 4000ppm/4H (4000ppm)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 3360uL/kg (3.36mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.55E+01 deg C   EXP
Boiling Point 123.5 deg C   EXP
log P (octanol-water) 1.240 (none)   EST
Water Solubility 1.47E+04 mg/L 25 EXP
Vapor Pressure 13.9 mm Hg 25 EXP
Henry's Law Constant 1.25E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.90E-12 cm3/molecule-sec 25 EXP

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