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Substance Name: 3,5-Heptanedione
RN: 7424-54-6
UNII: Q3B558E3VY
InChIKey: DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
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Names and Synonyms

Name of Substance

  • 3,5-Heptanedione

Synonyms

  • EINECS 231-054-5
  • UNII-Q3B558E3VY

Systematic Name

  • 3,5-Heptanedione

Registry Numbers

CAS Registry Number

  • 7424-54-6

FDA UNII

  • Q3B558E3VY

System Generated Number

  • 0007424546

Structure Descriptors

InChI

1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3

InChIKey

DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.12 (none)   EXP
Water Solubility 1.03E+04 mg/L 25 EST
Vapor Pressure 1.110 mm Hg 25 EST
Henry's Law Constant 5.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.99E-12 cm3/molecule-sec 25 EST

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