Dihexyl Sodium Sulfosuccinate
Basic information
- CAS
3006-15-3- Standard SMILES
CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].[Na+]- InChIKey
WVFDILODTFJAPA-UHFFFAOYSA-M- Molecular formula
- C16H29NaO7S
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.15316872
Overview
The CIR Expert Panel concluded that the following 8 dialkyl sulfosuccinate salts are safe in the present practices of use and concentration in cosmetics in this safety assessment when formulated to be non-irritating...Dihexyl Sodium Sulfosuccinate...
Names & identifiers
- Preferred name
- Dihexyl Sodium Sulfosuccinate
- IUPAC
- sodium 1,4-dihexoxy-1,4-dioxobutane-2-sulfonate
- English name
- Dihexyl sodium sulfosuccinate
- Molecular formula
- C16H31NaO7S
- Molecular weight
- 390.47
Names & synonyms
3006-15-3Dihexyl sodium sulfosuccinateSodium dihexyl sulfosuccinateSodium 1,4-dihexyl sulfosuccinateButanedioic acid, sulfo-, 1,4-dihexyl ester, sodium saltSodium 1,4-dihexyl sulphonatosuccinate7YY1T561V4DTXSID3042392sodium sulfosuccinic acid dihexyl esterButanedioic acid, 2-sulfo-, 1,4-dihexyl ester, sodium salt (1:1)SUCCINIC ACID, SULFO-, DIHEXYL ESTER, S-SODIUM SALTRefChem:587644
Show more names
sv1017Ai3-18858aerosolma80monawetmm80dihexylsodiosulfosuccinateSODIUMDIHEXYLSULPHOSUCCINATEDI-N-HEXYL SODIUM SULFOSUCCINATE
DTXCID1022392DIHEXYL SODIUM SULFOSUCCINATE [INCI]Monawet MM 801,4-Bis(hexyloxy)-1,4-dioxobutane-2-sulfonic acid, sodium saltDihexyl sulfosuccinate sodium saltSuccinic acid, sulfo-, 1,4-dihexyl ester, sodium saltsodium;1,4-dihexoxy-1,4-dioxobutane-2-sulfonateUNII-7YY1T561V4
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Dihexyl Sodium Sulfosuccinate) -> CIR (Cosmetic Ingredient Review)
Cleansing; Surfactant; Hydrotrope; Foam boosting
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 230 °C · 230°C decomposes
- Density
- 1.121 g/mL · 1.121 g/mL at 20 °C
- bulk density
- 180 kg/m3 · 180kg/m3
- refractive index
- 20 · n20/D 1.435
- storage temp.
- 15 °C · Store at +15°C to +25°C.
- solubility
- 364 g/l · 364g/l
- form
- solid
- PH
- 5 · 5-7 (50g/l, H2O, 25℃)
- Water Solubility
- 364 g/L · 364g/L
- BRN
- 3818241 · 3818241
- Cosmetic Ingredient Review (CIR)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, sulfo-, 1,4-dihexyl ester, sodium salt
Dihexyl sodium sulphosuccinate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following 8 dialkyl sulfosuccinate salts are safe in the present practices of use and concentration in cosmetics in this safety assessment when formulated to be non-irritating...Dihexyl Sodium Sulfosuccinate...
Safe for use in cosmetics, with qualifications
Safety data
- F
- 3-10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Dihexyl Sodium Sulfosuccinate
Use ClassificationCosmetics -> Cleansing; Surfactant; Hydrotrope; Foam boosting
General Manufacturing InformationButanedioic acid, 2-sulfo-, 1,4-dihexyl ester, sodium salt (1:1): ACTIVE
Applications
DescriptionDihexyl sodium sulfosuccinate is commonly used as a surfactant. It is mainly used in laboratory research materials and has the ability to promote emulsification and dispersion of substances in aqueous solutions. Dihexyl sodium sulfosuccinate works by lowering the surface tension of liquids by adsorbing at the liquid-air interface, thereby lowering the interfacial tension. As a result, the liquid can spread more easily and form smaller droplets. In addition, Dihexyl sodium sulfosuccinate has the ability to form micelles in solution, which aids in the dissolution of hydrophobic compounds.
UsesDihexyl sodium sulfosuccinate is a compound used as a substrate film in tumor treatment. It is an anhydrous sodium salt of sulfosuccinic acid and has a high resistance to radiation and oxidation. The hydroxyl group on the dihexyl sodium sulfosuccinate molecule allows the polymer to be dissolved in water. The receptor molecule, surfactant, can be used to control the particle size of the polymer. This product was injected into tumors to study its effect on tumor size and weight.
Related reactions
0 records
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Compound notes
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