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Substance Name: Dimethyl brassylate
RN: 1472-87-3
UNII: RIW8EWM34G
InChIKey: WWSBQOYADFGDQE-UHFFFAOYSA-N

Molecular Formula

  • C15-H28-O4

Molecular Weight

  • 272.382
 
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Names and Synonyms

Name of Substance

  • Dimethyl brassylate
  • Dimethyl tridecanedioate
  • Tridecanedioic acid, dimethyl ester

Synonyms

  • EINECS 216-012-6
  • UNII-RIW8EWM34G

Systematic Names

  • Dimethyl tridecanedioate
  • Tridecanedioic acid, 1,13-dimethyl ester
  • Tridecanedioic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 1472-87-3

FDA UNII

  • RIW8EWM34G

System Generated Number

  • 0001472873

Structure Descriptors

InChI

1S/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3

InChIKey

WWSBQOYADFGDQE-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCC(OC)=O)(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36 deg C   EXP
Boiling Point 331.9 deg C   EXP
log P (octanol-water) 4.820 (none)   EST
Water Solubility 1.340 mg/L 25 EST
Vapor Pressure 2.81E-04 mm Hg 25 EST
Henry's Law Constant 7.10E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-11 cm3/molecule-sec 25 EST

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