Cas no 40311-00-0 (4H-Pyran-4-one,3-hydroxy-2-(1-methylethyl)-)
40311-00-0 structure
Product Name:4H-Pyran-4-one,3-hydroxy-2-(1-methylethyl)-
CAS No:40311-00-0
MF:C8H10O3
MW:154.163202762604
CID:334066
PubChem ID:181665
Update Time:2025-04-19
4H-Pyran-4-one,3-hydroxy-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,3-hydroxy-2-(1-methylethyl)-
- 3-hydroxy-2-propan-2-ylpyran-4-one
- 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)-
- 3-hydroxy-2-(1-methylethyl)-4H-pyran-4-one
- Q27282594
- 40311-00-0
- DTXSID60193321
- Isopropylmaltol
- L1N28X38PG
- UNII-L1N28X38PG
- SCHEMBL9625503
-
- Inchi： 1S/C8H10O3/c1-5(2)8-7(10)6(9)3-4-11-8/h3-5,10H,1-2H3
- InChI Key： ONIMUPYFIMWJFC-UHFFFAOYSA-N
- SMILES： O1C=CC(C(=C1C(C)C)O)=O
Computed Properties
- Exact Mass: 154.063
- Monoisotopic Mass: 154.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 236
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.226
- Boiling Point: 290.3°Cat760mmHg
- Flash Point: 119.9°C
- Refractive Index: 1.54
4H-Pyran-4-one,3-hydroxy-2-(1-methylethyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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