Cas no 4632-96-6 (Butanedioic acid,2-sulfo-, 1,4-bis(4-methylpentyl) ester, sodium salt (1:1))
4632-96-6 structure
Product Name:Butanedioic acid,2-sulfo-, 1,4-bis(4-methylpentyl) ester, sodium salt (1:1)
CAS No:4632-96-6
MF:C16H29NaO7S
MW:388.452035665512
CID:331980
PubChem ID:23675921
Update Time:2025-04-19
Butanedioic acid,2-sulfo-, 1,4-bis(4-methylpentyl) ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-sulfo-, 1,4-bis(4-methylpentyl) ester, sodium salt (1:1)
- sodium 1,4-diisohexyl sulphonatosuccinate
- sodium,1,4-bis(4-methylpentoxy)-1,4-dioxobutane-2-sulfonate
- sodium 1,4-bis[(4-methylpentyl)oxy]-1,4-dioxobutane-2-sulfonate
- SODIUM 1,4-DIISOHEXYL SULFONATOSUCCINATE
- AKOS015901981
- 4632-96-6
- Sodium, 1, 4-di(hexan-2-yloxy)-1, 4-dioxobutane-2-sulfonate
- DTXSID10963551
- EINECS 225-056-5
- NS00082917
- SCHEMBL11051177
- Butanedioic acid,2-sulfo-,1,4-bis(1-methylpentyl)ester,sodium salt(1:1)
-
- Inchi： 1S/C16H30O7S.Na/c1-12(2)7-5-9-22-15(17)11-14(24(19,20)21)16(18)23-10-6-8-13(3)4;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1
- InChI Key： QIZXJUCBIXXCLG-UHFFFAOYSA-M
- SMILES： S(C(C(=O)OCCCC(C)C)CC(=O)OCCCC(C)C)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 388.15327
- Monoisotopic Mass: 388.153169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 483
- 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: 118
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 109.8
Butanedioic acid,2-sulfo-, 1,4-bis(4-methylpentyl) ester, sodium salt (1:1) Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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