Sodium di-n-octyl sulfosuccinate

C20H37NaO7SCAS 1639-66-3444.56 g/mol

Open in Covalent MOL file
OOOOSO−OONa+
EsterSulfonic acid

Properties

Molecular formula
C20H37NaO7S
Molar mass
444.56 g/mol
Exact mass
444.2158 Da
logP
4.06Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
18

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1639-66-3
SMILES
CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1)
  • Succinic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Butanedioic acid, sulfo-, 1,4-dioctyl ester, sodium salt
  • Succinic acid, sulfo-, dioctyl ester, S-sodium salt
  • Succinic acid, sulfo-, dioctyl ester, Na salt
  • Octyl alcohol, sulfosuccinate (1:2) sodium salt
  • MKC
  • Dioctyl sodiosulfosuccinate
  • Texapon DOS
  • Neocol SW 30
  • NSC 7779
  • Surfacpol 203
  • Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate
  • Penetrating T
  • Dioctylsulfosuccinic acid sodium salt

Work with Sodium di-n-octyl sulfosuccinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butanedioic acid, 2-sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, sodium salt (1:2)40754-59-467 % similar Isobutyl sulfosuccinic acid monosodium salt diester127-39-963 % similar Sodium lauryl sulfoacetate1847-58-156 % similar Sodium lauroylisethionate7381-01-348 % similar Hexyl isobutyrate2349-07-746 % similar Octyl butyrate110-39-444 % similar Dioctyl adipate123-79-544 % similar Decyl decanoate1654-86-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium bis(2-ethylhexyl) sulfosuccinate577-11-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook