Cas no 4229-35-0 (Butanedioic acid,2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1))
4229-35-0 structure
Product Name:Butanedioic acid,2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1)
CAS No:4229-35-0
MF:C28H53NaO7S
MW:556.770999670029
CID:330756
PubChem ID:23678878
Update Time:2025-04-19
Butanedioic acid,2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1)
- didodecylsulfosuccinate sodium salt
- sodium 1,4-didodecyl sulphonatosuccinate
- Butanedioic acid, sulfo-, 1,4-didodecyl ester, sodium salt
- sodium 1,4-bis(dodecyloxy)-1,4-dioxobutane-2-sulfonate
- Butanedioic acid, 2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1)
- DTXSID00635538
- DTXSID701014637
- NS00083812
- Butanedioic acid, 2-sulfo-, 1,4-didodecyl ester, sodium salt
- 4229-35-0
- Sodium 1,4-didodecyl sulfonatosuccinate
- SCHEMBL1146939
- EINECS 224-180-7
-
- Inchi： 1S/C28H54O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2;/h26H,3-25H2,1-2H3,(H,31,32,33);/q;+1/p-1
- InChI Key： YELYCAMTAMJIKA-UHFFFAOYSA-M
- SMILES： S(C(C(=O)OCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 556.34119
- Monoisotopic Mass: 556.341
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 28
- Complexity: 635
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 118A^2
Experimental Properties
- Density: 1.443
- Boiling Point: 550.5°C at 760 mmHg
- Flash Point: 286.7°C
- Refractive Index: 1.73
- PSA: 109.8
Butanedioic acid,2-sulfo-, 1,4-didodecyl ester, sodium salt (1:1) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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