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Cas Database |
| Name |
Di-n-octyl sodium sulfosuccinate |
EINECS | 216-684-0 |
| CAS No. | 1639-66-3 | Density | 1.098 g/cm3 |
| PSA | 118.18000 | LogP | 5.17850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H38NaO7S | Boiling Point | N/A |
| Molecular Weight | 486.646 | Flash Point | N/A |
| Transport Information | N/A | Appearance | colorless liquid. |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butanedioicacid, sulfo-, 1,4-dioctyl ester, sodium salt (9CI);Succinic acid, sulfo-, 1,4-dioctylester, sodium salt (8CI);Succinic acid, sulfo-, dioctyl ester, Na salt (6CI);Succinic acid, sulfo-, dioctyl ester, S-sodium salt (7CI);Octyl alcohol,sulfosuccinate (1:2) sodium salt (8CI);Dioctyl sodiosulfosuccinate;MKC;NSC7779;Neocol SW 30;Sodium 1,2-bis(octyloxycarbonyl)-1-ethanesulfonate;Sodiumdi-n-octyl sulfosuccinate;Surfacpol 203;Texapon DOS;butanedioic acid, 2-sulfo-, 1,4-dioctyl ester, sodium salt (1:1);Dioctyl sulfosuccinate, sodium salt;Sodium 1,4-bis(octyloxy)-1,4-dioxobutane-2-sulfonate; |
Article Data | 8 |
Di-n-octyl sodium sulfosuccinate Consensus Reports
Di-n-octyl sodium sulfosuccinate Specification
The Sulfosuccinic acid 1,4-dioctyl ester sodium salt, with the CAS registry number 1639-66-3, has the systematic name of sodium 1,4-bis(octyloxy)-1,4-dioxobutane-2-sulfonate. Its IUPAC name is sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate, and the molecular formula of this chemical is C20H38NaO7S.
The physical properties of Sulfosuccinic acid 1,4-dioctyl ester sodium salt are as followings: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 12.09; (7)ACD/KOC (pH 5.5): 21.23; (8)ACD/KOC (pH 7.4): 20.98; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 115.35 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)C(C(=O)OCCCCCCCC)CC(=O)OCCCCCCCC
(2)InChI: InChI=1/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1/p-1
(3)InChIKey: RCIJACVHOIKRAP-REWHXWOFAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 4800mg/kg (4800mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1065, 1986. | |
| rat | LD50 | oral | 1900mg/kg (1900mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1065, 1986. |
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