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Substance Name: Di-n-octyl sodium sulfosuccinate
RN: 1639-66-3
UNII: 4YLY5570Y0
InChIKey: RCIJACVHOIKRAP-UHFFFAOYSA-M

Molecular Formulas

  • C20-H37-O7-S.Na
  • C20-H38-O7-S.Na

Molecular Weight

  • 444.561
 
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Names and Synonyms

Name of Substance

  • 1,4-Bis(n-octyl) sulfobutanedioate, sodium salt
  • Di-n-octyl sodium sulfosuccinate
  • Sodium di-n-octyl sulfosuccinate
  • Sulfobutanedioic acid, 1,4-di(n-octyl) ester, sodium salt

Synonyms

  • Bu-cerumen
  • Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Butyl-cerumen
  • Caswell No. 392I
  • Di-n-octyl sodium sulfosuccinate
  • Dioctyl sodiosulfosuccinate
  • Dioctyl sodium sulfosuccinate
  • Dioctyl sodium sulphosuccinate
  • Dioctyl sulfosuccinate sodium
  • Dioctyl sulfosuccinate sodium salt
  • Dioktylester sulfojantaranu sodneho
  • Dioktylester sulfojantaranu sodneho [Czech]
  • EINECS 216-684-0
  • Elfanol 883
  • EPA Pesticide Chemical Code 079027
  • HSDB 4086
  • MKC
  • Neocol SW 30
  • NSC 7779
  • Sodium bis(octyl)sulfosuccinate
  • Sodium di-n-octyl sulfosuccinate
  • Sodium di-n-octylsulfosuccinate
  • Sodium dioctyl sulfosuccinate
  • Sodium O,O-dioctylsulfosuccinic acid
  • Sodium sulfosuccinic acid dioctyl ester
  • Solbaleite
  • Succinic acid, sulfo-, dioctyl ester, sodium salt
  • Sulfosuccinic acid 1,4-dioctyl ester sodium salt
  • Texapon DOS
  • UNII-4YLY5570Y0

Systematic Names

  • Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1)
  • Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Sodium dioctyl sulfosuccinate
  • Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt

Superlist Names

  • Sodium dioctyl sulfosuccinate
  • Sodium dioctylsulfosuccinate

Registry Numbers

CAS Registry Number

  • 1639-66-3

FDA UNII

  • 4YLY5570Y0

Other Registry Numbers

  • 2715-79-9
  • 28462-58-0
  • 53112-42-8
  • 53112-64-4
  • 8007-29-2
  • 8055-76-3

System Generated Number

  • 0001639663

Molecular Formulas

Molecular Formulas

  • C20-H37-O7-S.Na
  • C20-H38-O7-S.Na

Molecular Formula Fragments

  • C20-H37-O7-S
  • C20-H38-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1/p-1

InChIKey

RCIJACVHOIKRAP-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4800mg/kg (4800mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1065, 1986.
rat LD50 oral 1900mg/kg (1900mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1065, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.240 (none)   EST
Water Solubility 0.046 mg/L 25 EST
Vapor Pressure 1.40E-16 mm Hg 25 EST
Henry's Law Constant 5.00E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.17E-11 cm3/molecule-sec 25 EST

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