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Substance Name: Eicosanoic acid, methyl ester
RN: 1120-28-1
InChIKey: QGBRLVONZXHAKJ-UHFFFAOYSA-N

Molecular Formula

  • C21-H42-O2

Molecular Weight

  • 326.561
 
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Names and Synonyms

Synonyms

  • AI3-36455
  • EINECS 214-304-8
  • Methyl arachidate

Systematic Names

  • Eicosanoic acid, methyl ester
  • Methyl icosanoate

Registry Numbers

CAS Registry Number

  • 1120-28-1

System Generated Number

  • 0001120281

Structure Descriptors

InChI

1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3

InChIKey

QGBRLVONZXHAKJ-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCC)CCCC(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54.5 deg C   EXP
log P (octanol-water) 9.3 (none)   EXP
Water Solubility 9.78E-05 mg/L 25 EST
Vapor Pressure 7.33E-06 mm Hg 25 EST
Henry's Law Constant 0.029 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-11 cm3/molecule-sec 25 EST

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