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Substance Name: Behenic acid, methyl ester
RN: 929-77-1
UNII: 04KBO9R771
InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N

Molecular Formula

  • C23-H46-O2

Molecular Weight

  • 354.614
 
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Names and Synonyms

Name of Substance

  • Behenic acid, methyl ester

Synonyms

  • AI3-36456
  • Behenic acid, methyl ester
  • Docosanoic acid, methyl ester
  • EINECS 213-207-8
  • HSDB 2724
  • Methyl behenate
  • Methyl docosanoate
  • NSC 158426
  • UNII-04KBO9R771

Systematic Names

  • Docosanoic acid, methyl ester
  • Methyl docosanoate

Superlist Name

  • Docosanoic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 929-77-1

FDA UNII

  • 04KBO9R771

System Generated Number

  • 0000929771

Structure Descriptors

InChI

InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3

InChIKey

QSQLTHHMFHEFIY-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54 deg C   EXP
log P (octanol-water) 10.2 (none)   EXP
Water Solubility 1.13E-05 mg/L 25 EST
Vapor Pressure 1.30E-06 mm Hg 25 EST
Henry's Law Constant 0.051 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.73E-11 cm3/molecule-sec 25 EST

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