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Substance Name: Dodecanedioic acid, 1,12-dimethyl ester
RN: 1731-79-9
InChIKey: IZMOTZDBVPMOFE-UHFFFAOYSA-N

Classification Codes

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)

Molecular Formula

  • C14-H26-O4

Molecular Weight

  • 258.355
 
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Names and Synonyms

Synonym

  • EINECS 217-050-6

Systematic Names

  • Dimethyl dodecanedioate
  • Dodecanedioic acid, 1,12-dimethyl ester
  • Dodecanedioic acid, dimethyl ester

Registry Numbers

CAS Registry Number

  • 1731-79-9

System Generated Number

  • 0001731799

Structure Descriptors

InChI

1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

InChIKey

IZMOTZDBVPMOFE-UHFFFAOYSA-N

Smiles

O=C(OC)CCCCCCCCCCC(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.9 deg C   EXP
log P (octanol-water) 4.330 (none)   EST
Atmospheric OH Rate Constant 1.25E-11 cm3/molecule-sec 25 EST

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