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Substance Name: Methyl dodecanoate
RN: 111-82-0
UNII: 8IPS6BI6KW
InChIKey: UQDUPQYQJKYHQI-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.3464
 
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Names and Synonyms

Name of Substance

  • Dodecanoic acid, methyl ester
  • Lauric acid methyl ester
  • Methyl dodecanoate
  • Methyl laurate

Synonyms

  • 4-02-00-01090 (Beilstein Handbook Reference)
  • AI3-00669
  • BRN 1767780
  • Dodecanoic acid, methyl ester
  • EC 203-911-3
  • EINECS 203-911-3
  • FEMA No. 2715
  • FEMA number 2715
  • HSDB 5550
  • Lauric acid, methyl ester
  • Metholene 2296
  • Methyl dodecanoate
  • Methyl dodecylate
  • Methyl laurate
  • Methyl laurinate
  • Methyl n-dodecanoate
  • NSC 5027
  • RTECS OO1400000
  • Stepan C40
  • UNII-8IPS6BI6KW
  • Uniphat A40

Systematic Names

  • Dodecanoic acid, methyl ester
  • Lauric acid, methyl ester
  • Methyl laurate

Superlist Names

  • Dodecanoic acid, methyl ester
  • Lauric acid, methyl ester
  • Methyl laurate

Registry Numbers

CAS Registry Number

  • 111-82-0

FDA UNII

  • 8IPS6BI6KW

System Generated Number

  • 0000111820

Structure Descriptors

InChI

1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3

InChIKey

UQDUPQYQJKYHQI-UHFFFAOYSA-N

Smiles

C(CCC(=O)OC)CCCCCCCC

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
Melting Point 5.2 deg C   EXP
Boiling Point 267 deg C   EXP
log P (octanol-water) 5.41 (none)   EXP
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 0.00411 mm Hg 25 EXP
Henry's Law Constant 2.98E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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