Cas no 29703-73-9 (Octadecanoic acid,2-sulfoethyl ester, sodium salt (1:1))
29703-73-9 structure
Product Name:Octadecanoic acid,2-sulfoethyl ester, sodium salt (1:1)
CAS No:29703-73-9
MF:C20H39NaO5S
MW:414.575436830521
CID:258453
PubChem ID:23680236
Update Time:2025-04-19
Octadecanoic acid,2-sulfoethyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,2-sulfoethyl ester, sodium salt (1:1)
- Octadecanoic acid, 2-sulfoethyl ester, sodium salt
- sodium 2-(octadecanoyloxy)ethanesulfonate
- Sodium 2-sulphonatoethyl hydrogen stearate
- UNII-0PMK0RY1AV
- sodium stearoyl isethionate
- Octadecanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
- 2-SULFOETHYL STEARATE SODIUM SALT
- SCHEMBL9398418
- 29703-73-9
- Q27237073
- NS00028753
- DTXSID3067499
- EINECS 249-785-3
- 0PMK0RY1AV
- SODIUM STEAROYLISETHIONATE
-
- Inchi： 1S/C20H40O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h2-19H2,1H3,(H,22,23,24);/q;+1/p-1
- InChI Key： LEEHDJJMXGSXDH-UHFFFAOYSA-M
- SMILES： S(CCOC(CCCCCCCCCCCCCCCCC)=O)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 414.242
- Monoisotopic Mass: 414.242
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 20
- Complexity: 421
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 91.9A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Octadecanoic acid,2-sulfoethyl ester, sodium salt (1:1) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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