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4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one - analytical standard,≥98.0%(GC), high purity , CAS No.28664-35-9
Basic Description
Synonyms
28664-35-9 | 3-Hydroxy-4,5-dimethylfuran-2(5H)-one | Sotolone | 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one | sotolon | 4,5-Dimethyl-3-hydroxy-2(5H)-furanone | 2(5h)-FURANONE, 3-HYDROXY-4,5-DIMETHYL- | 3-Hydroxy-4,5-dimethyl-2(5H)-furanone | Sautalone | 4-hydroxy-2,3-dim
Specifications & Purity
analytical standard, ≥98%(GC)
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dihydrofurans
Subclass
Furanones
Intermediate Tree Nodes
Not available
Direct Parent
Butenolides
Alternative Parents
Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Enol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
External Descriptors
butenolide
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-hydroxy-2,3-dimethyl-2H-furan-5-one
INCHI
InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChIKey
UNYNVICDCJHOPO-UHFFFAOYSA-N
Smiles
CC1C(=C(C(=O)O1)O)C
Isomeric SMILES
CC1C(=C(C(=O)O1)O)C
WGK Germany
3
Molecular Weight
128.13
Reaxy-Rn
1561915
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561915&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.491
Flash Point(°F)
104°C
Flash Point(°C)
104°C
Boil Point(°C)
184°C
Molecular Weight
128.130 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
128.047 Da
Monoisotopic Mass
128.047 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
181.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
I2222550
