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Substance Name: Diheptadecyl ketone
RN: 504-53-0
UNII: 7IN8GA6M68
InChIKey: DMCJFWXGXUEHFD-UHFFFAOYSA-N

Molecular Formula

  • C35-H70-O

Molecular Weight

  • 506.937
 
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Names and Synonyms

Name of Substance

  • 18-Pentatriacontanone
  • Diheptadecyl ketone
  • Stearone

Synonyms

  • AI3-15184
  • Di-n-heptadecyl ketone
  • Diheptadecyl ketone
  • EINECS 207-993-1
  • Heptadecyl ketone
  • NSC 83612
  • Stearone
  • UNII-7IN8GA6M68

Systematic Name

  • 18-Pentatriacontanone

Registry Numbers

CAS Registry Number

  • 504-53-0

FDA UNII

  • 7IN8GA6M68

System Generated Number

  • 0000504530

Structure Descriptors

InChI

1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChIKey

DMCJFWXGXUEHFD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89 deg C   EXP
log P (octanol-water) 15.48 (none)   EST
Atmospheric OH Rate Constant 5.01E-11 cm3/molecule-sec 25 EST

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