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Substance Name: 5-Methyl-5-hexen-2-one
RN: 3240-09-3
UNII: 6OVV4Q22O6
InChIKey: VBCIOOKAKHGVMI-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.1708
 
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Names and Synonyms

Name of Substance

  • 5-Methyl-5-hexen-2-one

Synonyms

  • 5-Hexen-2-one, 5-methyl-
  • 5-Methyl-5-hexen-2-one
  • EINECS 221-807-6
  • FEMA No. 3365
  • NSC 21640
  • UNII-6OVV4Q22O6

Systematic Names

  • 5-Hexen-2-one, 5-methyl-
  • 5-Methylhex-5-en-2-one

Superlist Name

  • 5-Methyl-5-hexen-2-one

Registry Numbers

CAS Registry Number

  • 3240-09-3

FDA UNII

  • 6OVV4Q22O6

System Generated Number

  • 0003240093

Structure Descriptors

InChI

1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3

InChIKey

VBCIOOKAKHGVMI-UHFFFAOYSA-N

Smiles

CC(=O)CCC(=C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 150 deg C   EXP
log P (octanol-water) 1.650 (none)   EST
Atmospheric OH Rate Constant 5.61E-11 cm3/molecule-sec 25 EST

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