Disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate
Basic information
- CAS
40754-59-4- Standard SMILES
CCCCCCCCCCCCOCCOCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
DCDGWRWCFLIAOL-UHFFFAOYSA-L- Molecular formula
- C22H40Na2O10S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.21375721
Overview
See also: Disodium Laureth Sulfosuccinate (annotation moved to).
Names & identifiers
- Preferred name
- Disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate
- IUPAC
- disodium;4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]-4-oxo-2-sulfonatobutanoate
- English name
- Disodium Laureth Sulfosuccinate
- Molecular formula
- C22H43NaO10S
- Molecular weight
- 522.63
Names & synonyms
DTXSID70961174Disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oateRefChem:1083844DTXCID60138900740754-59-4Disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinateSodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosanoatedisodium;4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]-4-oxo-2-sulfonatobutanoateDisodium 4-(2-(2-(2-(dodecyloxy)ethoxy)ethoxy)ethyl) 2-sulphonatosuccinateMES 403EINECS 255-062-3Disodium Laureth Sulfosucccinate
Show more names
MES-30 AEMESJACS-40754-59-4UNII-D6DH1DTN7EsulphonatosuccinateDISODIUM LAURETH SULFOSUCCINATEDisodium Laureth Sulfosuccinate (MES)Lauryl Alcohol Polyether Sulfosuccinate Disodium (MES)disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulph...
CHEMBL1651994SCHEMBL27916855DCDGWRWCFLIAOL-UHFFFAOYSA-Ldisodium,4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]-4-oxo-2-sulfonatobutanoateButanedioic acid, sulfo-, 4-(2-(2-(2-(dodecyloxy)ethoxy)ethoxy)ethyl) ester, disodium saltNS00056398
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Boiling point
- 100 ℃[at · 100℃[at 101 325 Pa]
- Density
- 1.165 · 1.165[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 120.9 μg/L · 120.9μg/L at 25℃
- Cosmetics Ingredients Functions
- SURFACTANT - FOAM BOOSTINGSURFACTANT - CLEANSINGCLEANSINGFOAMINGSURFACTANT - HYDROTROPE
- Cosmetic Ingredient Review (CIR)
- Disodium Laureth Sulfosuccinate (40754-59-4)
- InChI
- InChI=1S/C22H42O10S.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-29-13-14-30-15-16-31-17-18-32-21(23)19-20(22(24)25)33(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;
- InChIKey
- NJPVZLQQTOFGEM-UHFFFAOYSA-N
- SMILES
- C(C(=O)O)(S(O)(=O)=O)CC(=O)OCCOCCOCCOCCCCCCCCCCCC.[NaH]
- LogP
- 3.66 · 3.66
- CAS DataBase Reference
- 40754 · 40754-59-4
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 6 DH1DTN7E · D6DH1DTN7E
- Signal word
- Warning
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
This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.
Danger
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, sulfo-, 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester, disodium salt
REACH registered substance: Disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate (EC: 255-062-3)
Butanedioic acid, sulfo-, 4-2-2-2-(dodecyloxy)ethoxyethoxyethyl ester, disodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- Signal word
- Warning
- Hazard statements
- H318-H315-H302
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Usesdisodium laureth sulfosuccinate is a very mild surfactant, appropriate for baby and child care products. It reduces the irritation properties of high-foaming surfactants when used in the same product formulation.
Related reactions
0 records
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Compound notes
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