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Substance Name: Methyl erucate
RN: 1120-34-9
UNII: DT8R52277S
InChIKey: ZYNDJIBBPLNPOW-KHPPLWFESA-N

Molecular Formula

  • C23-H44-O2

Molecular Weight

  • 352.599
 
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Names and Synonyms

Name of Substance

  • Methyl erucate

Synonyms

  • AI3-11100
  • EINECS 214-305-3
  • Methyl (Z)-13 docosenoate
  • Methyl erucate
  • UNII-DT8R52277S

Systematic Names

  • 13-Docosenoic acid, (Z)-, methyl ester
  • 13-Docosenoic acid, methyl ester, (13Z)-
  • Methyl (Z)-docos-13-enoate

Superlist Name

  • Erucic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 1120-34-9

FDA UNII

  • DT8R52277S

System Generated Number

  • 0001120349

Structure Descriptors

InChI

1S/C23H44O2/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/h10-11H,3-9,12-22H2,1-2H3/b11-10-

InChIKey

ZYNDJIBBPLNPOW-KHPPLWFESA-N

Smiles

C(CCCCCC\C=C/CCCCCCCC)CCCCC(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 9.32 (none)   EXP
Water Solubility 6.56E-05 mg/L 25 EST
Vapor Pressure 1.10E-06 mm Hg 25 EST
Henry's Law Constant 0.045 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.04E-11 cm3/molecule-sec 25 EST

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