Cas no 35983-73-4 (2(3H)-Furanone,3,3,5-trimethyl-)
35983-73-4 structure
Product Name:2(3H)-Furanone,3,3,5-trimethyl-
CAS No:35983-73-4
MF:C7H10O2
MW:126.153102397919
CID:319280
PubChem ID:142040
Update Time:2025-04-19
2(3H)-Furanone,3,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Furanone,3,3,5-trimethyl-
- 3,3,5-trimethylfuran-2-one
- DTXSID80189544
- 35983-73-4
- 2(3H)-Furanone, 3,3,5-trimethyl-
-
- Inchi： 1S/C7H10O2/c1-5-4-7(2,3)6(8)9-5/h4H,1-3H3
- InChI Key： PZEMSEDKGGNKKM-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C1=O)(C)C
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 1.5
Experimental Properties
- Density: 1.001
- Boiling Point: 232°C at 760 mmHg
- Flash Point: 88.2°C
- Refractive Index: 1.449
- PSA: 26.3
2(3H)-Furanone,3,3,5-trimethyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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