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Substance Name: 5-Hexen-2-one
RN: 109-49-9
UNII: XWM6RL9YEI
InChIKey: RNDVGJZUHCKENF-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • 5-Hexen-2-one

Synonyms

  • 1-Hexen-5-one
  • 5-Hexen-2-one
  • 5-Hexene-2-one
  • AI3-21995
  • Allylacetone
  • EINECS 203-675-1
  • NSC 6973
  • UNII-XWM6RL9YEI

Systematic Name

  • 5-Hexen-2-one

Registry Numbers

CAS Registry Number

  • 109-49-9

FDA UNII

  • XWM6RL9YEI

System Generated Number

  • 0000109499

Structure Descriptors

InChI

1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3

InChIKey

RNDVGJZUHCKENF-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 129.5 deg C   EXP
log P (octanol-water) 1.02 (none)   EXP
Water Solubility 1.59E+04 mg/L 25 EST
Vapor Pressure 21.3 mm Hg 25 EST
Henry's Law Constant 8.64E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

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