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Substance Name: Tridecanoic acid
RN: 638-53-9
UNII: 19936LIY2V
InChIKey: SZHOJFHSIKHZHA-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.346
 
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Names and Synonyms

Name of Substance

  • Tridecanoic acid

Synonyms

  • 4-02-00-01117 (Beilstein Handbook Reference)
  • AI3-04166
  • BRN 0508317
  • EINECS 211-341-1
  • n-Tridecanoic acid
  • n-Tridecoic acid
  • NSC 25955
  • NSC 69131
  • Tridecanoic acid
  • Tridecylic acid
  • UNII-19936LIY2V

Systematic Name

  • Tridecanoic acid

Superlist Name

  • Tridecanoic acid

Registry Numbers

CAS Registry Number

  • 638-53-9

FDA UNII

  • 19936LIY2V

System Generated Number

  • 0000638539

Structure Descriptors

InChI

1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)

InChIKey

SZHOJFHSIKHZHA-UHFFFAOYSA-N

Smiles

C(CCCCCCCCC)CCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/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 44.5 deg C   EXP
Boiling Point 312.4 deg C   EXP
log P (octanol-water) 5.490 (none)   EST
Water Solubility 33 mg/L 20 EXP
Henry's Law Constant 1.24E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-11 cm3/molecule-sec 25 EST

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