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Substance Name: Methyl pelargonate
RN: 1731-84-6
UNII: 7XKD6QOH68
InChIKey: IJXHLVMUNBOGRR-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • Methyl pelargonate
  • Nonanoic acid, methyl ester

Synonyms

  • 4-02-00-01019 (Beilstein Handbook Reference)
  • AI3-28570
  • BRN 1754521
  • EINECS 217-052-7
  • FEMA No. 2724
  • Methyl nonanoate
  • Methyl nonylate
  • Methyl pelargonate
  • Nonanoic acid, methyl ester
  • Pelargonic acid methyl ester
  • UNII-7XKD6QOH68

Systematic Names

  • Methyl nonanoate
  • Nonanoic acid, methyl ester

Superlist Name

  • Methyl nonanoate

Registry Numbers

CAS Registry Number

  • 1731-84-6

FDA UNII

  • 7XKD6QOH68

System Generated Number

  • 0001731846

Structure Descriptors

InChI

1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

InChIKey

IJXHLVMUNBOGRR-UHFFFAOYSA-N

Smiles

C(CCC(OC)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 48mg/kg (48mg/kg)   Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 213.5 deg C   EXP
log P (octanol-water) 4.32 (none)   EXP
Water Solubility 22.9 mg/L 25 EXP
Vapor Pressure 0.211 mm Hg 25 EST
Henry's Law Constant 1.27E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.96E-12 cm3/molecule-sec 25 EST

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