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Cas Database |
| Name |
Butanedioic acid,2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1) |
EINECS | 213-085-6 |
| CAS No. | 922-80-5 | Density | N/A |
| PSA | 118.18000 | LogP | 2.83790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H26NaO7S | Boiling Point | N/A |
| Molecular Weight | 360.404 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aerosol AY(6CI);Butanedioic acid, sulfo-, 1,4-dipentyl ester, sodium salt (9CI);Succinicacid, sulfo-, 1,4-dipentyl ester, sodium salt (8CI);Aerosol AY 100;Aerosol AY50;Aerosol AY 65;Aerosol AY-B;Diamyl sodiosulfosuccinate;Diamyl sodiumsulfosuccinate;Dipentyl sodium sulfosuccinate;Dipentyl sulfosuccinate sodiumsalt;Sodium 1,4-dipentyl sulfosuccinate;Sodium diamyl sulfosuccinate;Sodiumdiamyl sulfosuccinate salt;Sodium dipentyl sulfosuccinate; |
Article Data | 2 |
Butanedioic acid,2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1) Specification
The Butanedioic acid,2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1), with CAS registry number 922-80-5, has the systematic name of sodium 1,4-dioxo-1,4-bis(pentyloxy)butane-2-sulfonate. Besides this, it is also called Sodium diamyl sulfosuccinate. And the chemical formula of this chemical is C14H26NaO7S. What's more, its EINECS is 213-085-6.
Physical properties of Butanedioic acid,2-sulfo-, 1,4-dipentyl ester, sodium salt (1:1): (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (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)OCCCCC)CC(=O)OCCCCC
(2)InChI: InChI=1/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1
(3)InChIKey: UMEWSJNRBXKWKZ-REWHXWOFAL
(4)Std. InChI: InChI=1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1
(5)Std. InChIKey: UMEWSJNRBXKWKZ-UHFFFAOYSA-M
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