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Substance Name: Butanedioic acid, sulfo-, 1,4-dipentyl ester, sodium salt
RN: 922-80-5
UNII: P975Y1C16S
InChIKey: UMEWSJNRBXKWKZ-UHFFFAOYSA-M

Molecular Formula

  • C14-H26-O7-S.Na

Molecular Weight

  • 360.401
 
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Names and Synonyms

Name of Substance

  • 1,4-Dipentylsulfobutanedioic acid, sodium salt
  • Butanedioic acid, sulfo-, 1,4-dipentyl ester, sodium salt
  • Diamyl sodium sulfosuccinate
  • Sodium 1,4-dipentyl sulfobutanedioic acid
  • Sulfosuccinic acid, dipentyl ester, sodium salt

Synonyms

  • AI3-18857
  • EINECS 213-085-6
  • UNII-P975Y1C16S

Systematic Names

  • Butanedioic acid, 2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1)
  • Butanedioic acid, sulfo-, 1,4-dipentyl ester, sodium salt
  • Sodium 1,2-bis(pentyloxycarbonyl)ethanesulphonate

Registry Numbers

CAS Registry Number

  • 922-80-5

FDA UNII

  • P975Y1C16S

System Generated Number

  • 0000922805

Molecular Formulas

Molecular Formula

  • C14-H26-O7-S.Na

Molecular Formula Fragments

  • C14-H26-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1

InChIKey

UMEWSJNRBXKWKZ-UHFFFAOYSA-M

Smiles

C(C(=O)OCCCCC)[C@@H](C(=O)OCCCCC)S(=O)([O-])=O.[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.150 (none)   EST
Water Solubility 3.92E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.31E-11 cm3/molecule-sec 25 EST

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