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Substance Name: Pentadecanoic acid
RN: 1002-84-2
UNII: CCW02D961F
InChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-N

Note

  • In serum as a marker for intake of milk fat.

Molecular Formula

  • C15-H30-O2

Molecular Weight

  • 242.4
 
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Names and Synonyms

Name of Substance

  • Pentadecanoic acid

Synonyms

  • 4-02-00-01147 (Beilstein Handbook Reference)
  • AI3-36441
  • BRN 1773831
  • EINECS 213-693-1
  • n-Pentadecanoic acid
  • NSC 28486
  • Pentadecanoic acid
  • Pentadecyclic acid
  • Pentadecylic acid
  • UNII-CCW02D961F

Systematic Name

  • Pentadecanoic acid

Registry Numbers

CAS Registry Number

  • 1002-84-2

FDA UNII

  • CCW02D961F

System Generated Number

  • 0001002842

Structure Descriptors

InChI

1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChIKey

WQEPLUUGTLDZJY-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54mg/kg (54mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52.3 deg C   EXP
Boiling Point 339.1 deg C   EXP
log P (octanol-water) 6.470 (none)   EST
Water Solubility 12 mg/L 20 EXP
Henry's Law Constant 2.18E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

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