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Substance Name: 2-Methyl-3-heptanone
RN: 13019-20-0
UNII: CH4JHS76WY
InChIKey: XYYMFUCZDNNGFS-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O

Molecular Weight

  • 128.213
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-3-heptanone

Synonyms

  • 2-Methyl-3-heptanone
  • EINECS 235-877-0
  • NSC 21978
  • UNII-CH4JHS76WY

Systematic Names

  • 2-Methylheptan-3-one
  • 3-Heptanone, 2-methyl-
  • 3-Heptanone, 2-methyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 13019-20-0

FDA UNII

  • CH4JHS76WY

System Generated Number

  • 0013019200

Structure Descriptors

InChI

1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3

InChIKey

XYYMFUCZDNNGFS-UHFFFAOYSA-N

Smiles

C(C(C)C)(CCCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 158 deg C   EXP
log P (octanol-water) 2.150 (none)   EST
Atmospheric OH Rate Constant 9.17E-12 cm3/molecule-sec 25 EST

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