2-hydroxy-2H-furan-5-one - ≥98% , CAS No.14032-66-7

CAS: 14032-66-7 Cat. No.: H302820 Formula: C₄H₄O₃ Peso molecolare: 100.07 Numero EC: 832-905-9

GRADE & PURITY ≥98%

Synonyms

2(5H)-Furanone, 5-hydroxy- | MFCD00015554 | F11119 | 5-hydroxy-5H-furan-2-one | BDBM50080999 | 5-Hydroxy-2(5H)-furanone # | 5-hydroxy-2[5h]-furanone | Q18349236 | SY022363 | 2-hydroxy-2H-furan-5-one | 5-Hydroxyfuran-2(5H)-one | SCHEMBL120200 | SB61080 | 5

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

2(5H)-Furanone, 5-hydroxy- | MFCD00015554 | F11119 | 5-hydroxy-5H-furan-2-one | BDBM50080999 | 5-Hydroxy-2(5H)-furanone # | 5-hydroxy-2[5h]-furanone | Q18349236 | SY022363 | 2-hydroxy-2H-furan-5-one | 5-Hydroxyfuran-2(5H)-one | SCHEMBL120200 | SB61080 | 5

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504753016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753016

Sorrisi canonici

C1=CC(=O)OC1O

IUPAC Name

2-hydroxy-2H-furan-5-one

InChIKey

DUAZKLYNTLDKQK-UHFFFAOYSA-N

INCHI

1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-3,5H

Isomeri SMILES

C1=CC(=O)OC1O

Peso molecolare

100.07

Reaxy-Rn

109713

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109713&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Enoate esters Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: 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: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 186.5°C
• Punto di ebollizione (°C): 361°C
• Punto di fusione (°C): 49-50℃
• Peso molecolare: 100.070 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 100.016 Da
• Monoisotopic Mass: 100.016 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 116.000
• 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