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Substance Name: 3-Penten-2-one
RN: 625-33-2
InChIKey: LABTWGUMFABVFG-ONEGZZNKSA-N

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Synonyms

  • 2-Oxo-3-pentene
  • 3-01-00-02985 (Beilstein Handbook Reference)
  • 3-Penten-2-one
  • AI3-37794
  • BRN 1633505
  • EINECS 210-888-3
  • Ethylidene acetone
  • FEMA No. 3417
  • Methyl 1-propenyl ketone
  • Methyl propenyl ketone
  • NSC 61468

Systematic Name

  • 3-Penten-2-one

Superlist Name

  • Ethylidene acetone

Registry Numbers

CAS Registry Number

  • 625-33-2

System Generated Number

  • 0000625332

Structure Descriptors

InChI

1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+

InChIKey

LABTWGUMFABVFG-ONEGZZNKSA-N

Smiles

C(\C(C)=O)=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 500uL/kg (0.5mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LCLo inhalation 250ppm/4H (250ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 3200mg/kg (3200mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 122.5 deg C   EXP
log P (octanol-water) 0.52 (none)   EXP
Water Solubility 4.62E+04 mg/L 25 EST
Vapor Pressure 39.1 mm Hg 25 EST
Henry's Law Constant 4.10E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 25 EST

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