Cas no 85099-22-5 (2-Butenedioic acid,mono(2-methylpropyl) ester, sodium salt (9CI))
85099-22-5 structure
Product Name:2-Butenedioic acid,mono(2-methylpropyl) ester, sodium salt (9CI)
CAS No:85099-22-5
MF:C8H11NaO4
MW:194.160313844681
CID:721499
Update Time:2026-04-29
2-Butenedioic acid,mono(2-methylpropyl) ester, sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Butenedioic acid,mono(2-methylpropyl) ester, sodium salt (9CI)
- sodium isobutyl 2-butenedioate
- sodium,4-(2-methylpropoxy)-4-oxobut-2-enoate
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Computed Properties
- Exact Mass: 194.055504
- Monoisotopic Mass: 194.055504
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 198
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4
Experimental Properties
- Boiling Point: 281.4°C at 760 mmHg
- Flash Point: 110°C
2-Butenedioic acid,mono(2-methylpropyl) ester, sodium salt (9CI) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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