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Substance Name: 1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt
RN: 127-39-9
UNII: B51N789L6J
InChIKey: NTWXWSVUSTYPJH-UHFFFAOYSA-M

Molecular Formula

  • C12-H22-O7-S.Na

Molecular Weight

  • 332.347
 
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Names and Synonyms

Name of Substance

  • 1,4-Bis(2-methylpropyl)sulfobutanyedioate, sodium salt
  • Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt
  • Diisobutyl sodium sulfosuccinate
  • Sulfosuccinic acid, diisobutyl ester, sodium salt

Synonyms

  • AI3-18859
  • EC 204-839-5
  • EINECS 204-839-5
  • Sodium 1,4-diisobutyl sulfosuccinate
  • UNII-B51N789L6J

Systematic Names

  • Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)
  • Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt
  • Sodium 1,2-diisobutoxycarbonylethanesulphonate

Superlist Names

  • Sodium 1,4-diisobutyl sulfosuccinate
  • Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt

Registry Numbers

CAS Registry Number

  • 127-39-9

FDA UNII

  • B51N789L6J

System Generated Number

  • 0000127399

Molecular Formulas

Molecular Formula

  • C12-H22-O7-S.Na

Molecular Formula Fragments

  • C12-H22-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1

InChIKey

NTWXWSVUSTYPJH-UHFFFAOYSA-M

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.020 (none)   EST
Water Solubility 7.60E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.02E-11 cm3/molecule-sec 25 EST

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