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Substance Name: Petroselinic acid
RN: 593-39-5
UNII: 3A10DOC461
InChIKey: CNVZJPUDSLNTQU-SEYXRHQNSA-N

Note

  • Isomer of oleic acid in parsley seeds.

Molecular Formula

  • C18-H34-O2

Molecular Weight

  • 282.4646
 
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Names and Synonyms

Name of Substance

  • Petroselinic acid

Synonyms

  • AI3-36446
  • EINECS 209-789-8
  • UNII-3A10DOC461

Systematic Names

  • (Z)-Octadec-6-enoic acid
  • 6-Octadecenoic acid, (Z)-

Registry Numbers

CAS Registry Number

  • 593-39-5

FDA UNII

  • 3A10DOC461

System Generated Number

  • 0000593395

Structure Descriptors

InChI

1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-

InChIKey

CNVZJPUDSLNTQU-SEYXRHQNSA-N

Smiles

CCCCCCCCCCC\C=C/CCCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29.8 deg C   EXP
log P (octanol-water) 7.730 (none)   EST
Atmospheric OH Rate Constant 7.55E-11 cm3/molecule-sec 25 EST

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