Cas no 43064-52-4 (Butanedioic acid,2-hydroxy-2-(1-methylethyl)-, 1,4-dimethyl ester)
43064-52-4 structure
Product Name:Butanedioic acid,2-hydroxy-2-(1-methylethyl)-, 1,4-dimethyl ester
CAS No:43064-52-4
MF:C9H16O5
MW:204.220343589783
CID:331295
PubChem ID:3016407
Update Time:2025-04-19
Butanedioic acid,2-hydroxy-2-(1-methylethyl)-, 1,4-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-hydroxy-2-(1-methylethyl)-, 1,4-dimethyl ester
- dimethyl 2-hydroxy-2-(isopropyl)succinate
- dimethyl 2-hydroxy-2-propan-2-ylbutanedioate
- 2-Hydroxy-2-isopropyl-succinic acid dimethyl ester
- OQIDMHZJNDYZLB-UHFFFAOYSA-N
- EINECS 256-072-0
- 43064-52-4
- NS00058881
- DTXSID60962877
- Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester
- Dimethyl 2-hydroxy-2-(propan-2-yl)butanedioate
-
- Inchi： 1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3
- InChI Key： OQIDMHZJNDYZLB-UHFFFAOYSA-N
- SMILES： OC(C(=O)OC)(CC(=O)OC)C(C)C
Computed Properties
- Exact Mass: 204.09978
- Monoisotopic Mass: 204.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.122
- Boiling Point: 284.6°C at 760 mmHg
- Flash Point: 104.3°C
- Refractive Index: 1.448
- PSA: 72.83
Butanedioic acid,2-hydroxy-2-(1-methylethyl)-, 1,4-dimethyl ester Related Literature
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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