SODIUM 1,4-DIHEXYL SULFOSUCCINATE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form
UNII 7YY1T561V4
EPA CompTox DTXSID3042392

Structure

InChI Key WVFDILODTFJAPA-UHFFFAOYSA-M
Smiles [Na+].CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-]
InChI
InChI=1/C16H30O7S.Na/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29NaO7S
Molecular Weight 388.15
AlogP -0.46
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 14.0
Polar Surface Area 109.8
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 3006-15-3
NORMAN SUSDAT
FDA SRS 7YY1T561V4
PubChem 516989
ChemSpider 74149.0
CONTENTS