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Substance Name: 4,5-Octanedione
RN: 5455-24-3
UNII: 9OCI30QIY0
InChIKey: XYZAPOXYXNIBEU-UHFFFAOYSA-N

Molecular Weight

  • 142.197
 
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Names and Synonyms

Name of Substance

  • 4,5-Octanedione

Synonym

  • UNII-9OCI30QIY0

Systematic Name

  • 4,5-Octanedione

Registry Numbers

CAS Registry Number

  • 5455-24-3

FDA UNII

  • 9OCI30QIY0

System Generated Number

  • 0005455243

Structure Descriptors

InChI

1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3

InChIKey

XYZAPOXYXNIBEU-UHFFFAOYSA-N

Smiles

C(C(=O)CCC)(=O)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 168 deg C   EXP
log P (octanol-water) 0.630 (none)   EST
Atmospheric OH Rate Constant 9.34E-12 cm3/molecule-sec 25 EST

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