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Substance Name: 4-Hexen-3-one
RN: 2497-21-4
InChIKey: FEWIGMWODIRUJM-HWKANZROSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Synonyms

  • 2-Hexen-4-one
  • 2-Hexene-4-one
  • 4-Hexen-3-one
  • 4-Hexene-3-one
  • EINECS 219-681-2
  • FEMA No. 3352
  • NSC 245483

Systematic Names

  • 2-Hexen-4-one
  • 4-Hexen-3-one

Superlist Name

  • 4-Hexen-3-one

Registry Numbers

CAS Registry Number

  • 2497-21-4

System Generated Number

  • 0002497214

Structure Descriptors

InChI

1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+

InChIKey

FEWIGMWODIRUJM-HWKANZROSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 780mg/kg (780mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 138.5 deg C   EXP
log P (octanol-water) 1.310 (none)   EST
Atmospheric OH Rate Constant 5.21E-11 cm3/molecule-sec 25 EST

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