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Substance Name: 2-Cyclohexen-1-one
RN: 930-68-7
UNII: 445160R1U6
InChIKey: FWFSEYBSWVRWGL-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H8-O

Molecular Weight

  • 96.1282
 
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Names and Synonyms

Name of Substance

  • 2-Cyclohexen-1-one

Synonyms

  • 2-Cyclohexen-1-one
  • 2-Cyclohexenone
  • 3-Oxocyclohexene
  • 4-07-00-00124 (Beilstein Handbook Reference)
  • BRN 1280477
  • EINECS 213-223-5
  • NSC 59710
  • UNII-445160R1U6

Systematic Names

  • 2-Cyclohexen-1-one
  • Cyclohex-2-enone

Registry Numbers

CAS Registry Number

  • 930-68-7

FDA UNII

  • 445160R1U6

System Generated Number

  • 0000930687

Structure Descriptors

InChI

1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

InChIKey

FWFSEYBSWVRWGL-UHFFFAOYSA-N

Smiles

C1(CCCC=C1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975,
rabbit LD50 skin 70mg/kg (70mg/kg)   American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972.
rat LC50 inhalation 250ppm/4H (250ppm)   American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972.
rat LD50 oral 220mg/kg (220mg/kg)   American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.30E+01 deg C   EXP
Boiling Point 170 deg C   EXP
log P (octanol-water) 0.61 (none)   EXP
Water Solubility 3.62E+04 mg/L 25 EST
Vapor Pressure 3.620 mm Hg 25 EST
Henry's Law Constant 2.40E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.73E-11 cm3/molecule-sec 25 EST

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