Isobutyl sulfosuccinic acid monosodium salt diester

C12H21NaO7SCAS 127-39-9332.34 g/mol

Open in Covalent MOL file
OOOOSO−OONa+
EsterSulfonic acid

Properties

Molecular formula
C12H21NaO7S
Molar mass
332.34 g/mol
Exact mass
332.0906 Da
logP
0.65Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
127-39-9
SMILES
CC(C)COC(=O)CC(C(=O)OCC(C)C)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

19 names · show all
  • Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1)
  • Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt
  • Aerosol IB
  • Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt
  • Succinic acid, sulfo-, diisobutyl ester, S-sodium salt
  • Alphasol IB
  • Manoxol IB
  • Sulfosuccinic acid diisobutyl ester sodium salt
  • Sodium 1,4-diisobutyl sulfosuccinate
  • Diisobutyl sodium sulfosuccinate
  • Monawet MB 70
  • Sodium diisobutyl sulfosuccinate
  • Diisobutyl 2-sulfobutane-1,4-dioate sodium salt
  • Monawet MB 45
  • Aerosol IB 45
  • Di-2-methylpropyl sulfosuccinate sodium salt
  • Monawet MB 100
  • Diisobutyl sodiosulfosuccinate
  • IB 45

Work with Isobutyl sulfosuccinic acid monosodium salt diester

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

Sodium bis(2-ethylhexyl) sulfosuccinate577-11-765 % similar Sodium di-n-octyl sulfosuccinate1639-66-363 % similar Isobutyl isovalerate589-59-349 % similar Butanedioic acid, 2-sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, sodium salt (1:2)40754-59-446 % similar Isobutyl isobutyrate97-85-841 % similar Diisobutyl adipate141-04-840 % similar Isobutyl propionate540-42-140 % similar Isobutyl butyrate539-90-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook