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Substance Name: Margaric acid
RN: 506-12-7
UNII: V987Y9OZ8L
InChIKey: KEMQGTRYUADPNZ-UHFFFAOYSA-N

Molecular Formula

  • C17-H34-O2

Molecular Weight

  • 270.454
 
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Names and Synonyms

Name of Substance

  • Margaric acid

Synonyms

  • 4-02-00-01193 (Beilstein Handbook Reference)
  • AI3-36481
  • BRN 1781004
  • EINECS 208-027-1
  • Margaric acid
  • Margarinic acid
  • n-Heptadecanoic acid
  • n-Heptadecoic acid
  • n-Heptadecylic acid
  • NSC 3743
  • UNII-V987Y9OZ8L

Systematic Name

  • Heptadecanoic acid

Registry Numbers

CAS Registry Number

  • 506-12-7

FDA UNII

  • V987Y9OZ8L

Other Registry Numbers

  • 28829-31-4
  • 45237-51-2
  • 45237-52-3

Related Registry Numbers

  • 1002-82-0 (hydrochloride salt)
  • 17378-36-8 (potassium salt)

System Generated Number

  • 0000506127

Structure Descriptors

InChI

1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

InChIKey

KEMQGTRYUADPNZ-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCC)CCCCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954.
mouse LD50 intravenous 36mg/kg (36mg/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 61.3 deg C   EXP
Boiling Point 363.8 deg C   EXP
log P (octanol-water) 7.450 (none)   EST
Water Solubility 4.2 mg/L 20 EXP
Henry's Law Constant 3.84E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.11E-11 cm3/molecule-sec 25 EST

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