SODIUM 1,4-DIISOBUTYL SULFOSUCCINATE

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Keyword(s): Food Contact Chemicals ; Plastic additives ; Drinking Water Chemicals
Molecule Category Salt-form
UNII B51N789L6J
EPA CompTox DTXSID7029164

Structure

InChI Key NTWXWSVUSTYPJH-UHFFFAOYSA-M
Smiles [Na+].CC(C)COC(=O)CC(C(=O)OCC(C)C)S([O-])(=O)=O
InChI
InChI=1/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21NaO7S
Molecular Weight 332.09
AlogP -2.31
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 8.0
Polar Surface Area 109.8
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 127-39-9
NORMAN SUSDAT
FDA SRS B51N789L6J
PubChem 55024
ChemSpider 23683016.0
CONTENTS