Cas no 17678-20-5 (4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one)
17678-20-5 structure
Product Name:4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one
CAS No:17678-20-5
MF:C6H8O4
MW:144.125322341919
CID:1369400
PubChem ID:3014989
Update Time:2025-04-20
4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one
- 4-Hydroxy-2-(hydroxymethyl)-5-methyl-3(2H)-furanone
- 4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3-one
- DTXSID00938854
- SCHEMBL7769389
- 17678-20-5
- 3-Hydroxy-5-hydroxymethyl-2-methyl- (5H)-furan-4-on
-
- Inchi： 1S/C6H8O4/c1-3-5(8)6(9)4(2-7)10-3/h4,7-8H,2H2,1H3
- InChI Key： QWWDOOYYVCSCLB-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C1CO)=O)O
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 194
- 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: 0.2
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.425
- Boiling Point: 303.2°C at 760 mmHg
- Flash Point: 132.5°C
- Refractive Index: 1.552
- PSA: 66.76
4-hydroxy-2-(hydroxymethyl)-5-methylfuran-3(2H)-one Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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