Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Hexanone
RN: 589-38-8
UNII: P601A79G79
InChIKey: PFCHFHIRKBAQGU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.16
 
* 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-Hexanone

Synonyms

  • 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

FDA UNII

  • P601A79G79

System Generated Number

  • 0000589388

Structure Descriptors

InChI

1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

InChIKey

PFCHFHIRKBAQGU-UHFFFAOYSA-N

Smiles

C(CCC)(CC)=O

Toxicity

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.