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Substance Name: 1-Pentene-3-one
RN: 1629-58-9
UNII: R0053Y1AZ7
InChIKey: JLIDVCMBCGBIEY-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • 1-Pentene-3-one

Synonyms

  • 1-Penten-3-one
  • 4-01-00-03457 (Beilstein Handbook Reference)
  • BRN 1735857
  • CCRIS 4223
  • EINECS 216-624-3
  • Ethyl vinyl ketone
  • Ethylvinyl ketone
  • Ethylvinylketone
  • FEMA No. 3382
  • Ketone, ethyl vinyl
  • NSC 81211
  • Pentenone
  • UNII-R0053Y1AZ7

Systematic Names

  • 1-Penten-3-one
  • Ethyl vinyl ketone
  • Ethylvinyl ketone

Superlist Name

  • 1-Penten-3-one

Registry Numbers

CAS Registry Number

  • 1629-58-9

FDA UNII

  • R0053Y1AZ7

System Generated Number

  • 0001629589

Structure Descriptors

InChI

InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

InChIKey

JLIDVCMBCGBIEY-UHFFFAOYSA-N

Smiles

CCC(=O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00948,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 103 deg C   EXP
log P (octanol-water) 0.900 (none)   EST
Atmospheric OH Rate Constant 2.49E-11 cm3/molecule-sec 25 EST

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