3-Ethyl-2-hydroxy-2-cyclopenten-1-one solution - 50 wt. % in propylene glycol , CAS No.21835-01-8

CAS: 21835-01-8 Cat. No.: E432328 Fórmula: C₇H₁₀O₂ Peso molecular: 126.15 Número CE: 244-606-5

GRADE & PURITY 50 wt. % in propylene glycol

Synonyms

CHEBI:184311 | Q27293841 | AS-64041 | 3-Ethyl-2-hydroxy-2-cyclopentenone | 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl | 2-hydroxy-3-ethyl-2-cyclopentenone | Enol-3-Ethyl-1,2-cyclopentanedione | Ethylcyclotene | EN300-34056 | E0792 | SY053179 | 2-Hydroxy-3-eth

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

General Description

3-Ethyl-2-hydroxy-2-cyclopenten-1-one is formed by thermal degradation of ascorbic acid. It is an aroma compound formed from the reactions of L-ascorbic acid with L-threonine/L-serine at different pH values.

Specifications

Sinónimos

CHEBI:184311 | Q27293841 | AS-64041 | 3-Ethyl-2-hydroxy-2-cyclopentenone | 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl | 2-hydroxy-3-ethyl-2-cyclopentenone | Enol-3-Ethyl-1,2-cyclopentanedione | Ethylcyclotene | EN300-34056 | E0792 | SY053179 | 2-Hydroxy-3-eth

Especificações e pureza

50 wt. % in propylene glycol

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: CCC1=C(C(=O)CC1)O
• IUPAC Name: 3-ethyl-2-hydroxycyclopent-2-en-1-one
• InChIKey: JHWFWLUAUPZUCP-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3
• SMILES isoméricas: CCC1=C(C(=O)CC1)O
• WGK Alemanha: 3
• Peso molecular: 126.15
• Reaxy-Rn: 970433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Enol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Índice de refração: 1.476
• Ponto de inflamação (°F): 107 °C
• Ponto de inflamação (°C): 107°C
• Ponto de ebulição (°C): 75°C/0.3mmHg
• Ponto de fusão (°C): 42°C
• Peso molecular: 126.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Xiaoyun Zhao, Xuebin Zhao, Gaolei Xi, Lu Han, Bing Cui.  (2025)  Mechanistic Study on Ethanol-Induced Sweetness Enhancement: Combining Cellular and Computational Approaches to Uncover Its Dual Role as a Weak Agonist and Allosteric Stabilizer.  JOURNAL OF FOOD SCIENCE,  90  (11): (e70648).  [PMID:41178097] [10.1111/1750-3841.70648]