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Substance Name: Bis(1-methylamyl) sodium sulfosuccinate
RN: 6001-97-4
UNII: 772Y8KZU65
InChIKey: QJDJVBIQBWDFNZ-UHFFFAOYSA-M

Molecular Formula

  • C16-H30-O7-S.Na

Molecular Weight

  • 388.454
 
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Names and Synonyms

Name of Substance

  • Bis(1-methylamyl) sodium sulfosuccinate

Synonyms

  • EINECS 227-847-0
  • UNII-772Y8KZU65

Systematic Names

  • Butanedioic acid, 2-sulfo-, 1,4-bis(1-methylpentyl) ester, sodium salt (1:1)
  • Butanedioic acid, sulfo-, 1,4-bis(1-methylpentyl) ester, sodium salt
  • Sodium 1,4-diisohexyl 2-sulphosuccinate

Registry Numbers

CAS Registry Number

  • 6001-97-4

FDA UNII

  • 772Y8KZU65

System Generated Number

  • 0006001974

Molecular Formulas

Molecular Formula

  • C16-H30-O7-S.Na

Molecular Formula Fragments

  • C16-H30-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H30O7S.Na/c1-5-7-9-12(3)22-15(17)11-14(24(19,20)21)16(18)23-13(4)10-8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1

InChIKey

QJDJVBIQBWDFNZ-UHFFFAOYSA-M

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.980 (none)   EST
Water Solubility 3.43E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.74E-11 cm3/molecule-sec 25 EST

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