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| CAS No.: | 36409-57-1 |
|---|---|
| Name: | Disodium laureth sulfosuccinate |
| Molecular Structure: | |
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| Formula: | C16H28Na2O7S |
| Molecular Weight: | 410.43 |
| Synonyms: | disodium 2-dodecoxysulfonylbutanedioate;Butanedioic acid, ((dodecyloxy)sulfonyl)-, disodium salt;Disodium ((dodecyloxy)sulphonyl)succinate;Disodium laureth sulfosuccinate(MESD);Succinic acid, sulfo-, monododecyl ester, disodium salt; |
| EINECS: | 253-019-3 |
| Boiling Point: | 513.3 °C at 760 mmHg |
| Flash Point: | 264.2 °C |
| Appearance: | COA |
| PSA: | 132.01000 |
| LogP: | 2.58510 |
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Specification
The Disodium laureth sulfosuccinate, with the CAS registry number 36409-57-1 and EINECS registry number 255-062-3, has the systematic name of disodium 2-[(dodecyloxy)sulfonyl]butanedioate. It is also called butanedioic acid, 2-[(dodecyloxy)sulfonyl]-, sodium salt (1:2), and the molecular formula of this chemical is C16H28Na2O7S.
The physical properties of Disodium laureth sulfosuccinate are as following: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 126.35 Å2; (13)Flash Point: 264.2 °C; (14)Enthalpy of Vaporization: 85.87 kJ/mol; (15)Boiling Point: 513.3 °C at 760 mmHg; (16)Vapour Pressure: 6.42E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CC(C([O-])=O)S(=O)(=O)OCCCCCCCCCCCC
(2)InChI: InChI=1/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-24(21,22)14(16(19)20)13-15(17)18;;/h14H,2-13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2
(3)InChIKey: RIDICOKGYAHGRG-NUQVWONBAL