4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one - 10 wt.% in propylene glycol , CAS No.28664-35-9

CAS: 28664-35-9 Cat. No.: D120040 Molecular Weight: 128.13 EC Number: 249-136-4

GRADE & PURITY 10 wt.% in propylene glycol

Synonyms

4,5-Dimethyl-3-hydroxy-2(5H)-furanone | FT-0617204 | NCGC00256815-01 | SCHEMBL246671 | Q421173 | CAS-28664-35-9 | T62RL2NEGW | 3-hydroxy-4,5-dimethyl-2,5-dihydrofuran-2-one | EINECS 249-136-4 | EN300-7418981 | UNYNVICDCJHOPO-UHFFFAOYSA-N | 2,3-dimethyl-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 5-Dimethyl-3-hydroxy-2(5H)-furanone | FT-0617204 | NCGC00256815-01 | SCHEMBL246671 | Q421173 | CAS-28664-35-9 | T62RL2NEGW | 3-hydroxy-4, 5-dimethyl-2, 5-dihydrofuran-2-one | EINECS 249-136-4 | EN300-7418981 | UNYNVICDCJHOPO-UHFFFAOYSA-N | 2, 3-dimethyl-4-

Specifications & Purity

10 wt.% in propylene glycol

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504753884
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753884
• Canonical Smiles: CC1C(=C(C(=O)O1)O)C
• IUPAC Name: 4-hydroxy-2,3-dimethyl-2H-furan-5-one
• InChIKey: UNYNVICDCJHOPO-UHFFFAOYSA-N
• INCHI: 1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans
      • Subclass Furanones

• 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.

DOI: 10.1186/s13321-016-0174-y

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

References

1. Rui Wang, Shiyu Chang, Miao Liang, Yajian Wu, Runhu Xin, Yuping Liu, Liang Chen, Shangting Zhou.  (2023)  Characterization of Key Odorants in Soy Sauce and Their Concentration Changes during Storage.  JOURNAL OF FOOD QUALITY,      [PMID:] [10.1155/2023/6673089]

2. Chaoyi Tu, Sijin Zou, Siyi Pan, Xiaoyun Xu, Fang Yuan.  (2025)  Influence of Allulose, Xylitol, and Mogroside on Maillard-derived Intermediates, Aroma Profile, and Sensory Perception in Bread.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108425]