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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:32, 15 February 2012 (Saving copy of the {{chembox}} taken from revid 472345146 of page Dioctyl_sodium_sulfosuccinate for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:32, 15 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 472345146 of page Dioctyl_sodium_sulfosuccinate for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 472345146 of page Dioctyl_sodium_sulfosuccinate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name Sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
Other names Aerosol OT; AOT; sodium bis(2-ethylhexyl) sulfosuccinate; docusate sodium
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1Key: APSBXTVYXVQYAB-UHFFFAOYSA-M
  • InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1Key: APSBXTVYXVQYAB-REWHXWOFAT
SMILES
  • .S(=O)(=O)C(C(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC
Properties
Chemical formula C20H37NaO7S
Molar mass 444.56 g/mol
Appearance White to off-white, wax-like solid, bitter, smells of octanol
Density 1.1 g/cm³
Melting point 153–157 °C
Solubility in water 1:70
Solubility in petroleum ether Highly soluble
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 1 0
Lethal dose or concentration (LD, LC):
LD50 (median dose) 1900 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Merck Index, 14th Edition, 3401.
  2. Dioctyl Sulfosuccinic Acid at PubChem