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Substance Name: Erucic acid
RN: 112-86-7
UNII: 075441GMF2
InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N

Molecular Formula

  • C22-H42-O2

Molecular Weight

  • 338.572
 
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Names and Synonyms

Name of Substance

  • Erucic acid

Synonyms

  • 13-cis-Docosenoic acid
  • AI3-18180
  • cis-13-Docosenoic acid
  • delta13-cis-Docosenoic acid
  • delta13:14-Docosenoic acid
  • EINECS 204-011-3
  • Erucic acid
  • HSDB 5015
  • Hystrene 2290
  • NSC 6814
  • UNII-075441GMF2
  • Z-13-Docosenoic acid

Systematic Names

  • (Z)-Docos-13-enoic acid
  • 13-Docosenoic acid, (13Z)-
  • 13-Docosenoic acid, (Z)-

Registry Numbers

CAS Registry Number

  • 112-86-7

FDA UNII

  • 075441GMF2

System Generated Number

  • 0000112867

Structure Descriptors

InChI

1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

InChIKey

DPUOLQHDNGRHBS-KTKRTIGZSA-N

Smiles

C(CCCC\C=C/CCCCCCCC)CCCCCCC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33.5 deg C   EXP
log P (octanol-water) 9.690 (none)   EST
Atmospheric OH Rate Constant 8.12E-11 cm3/molecule-sec 25 EST

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