Tetrahydrofuran-3-one - ≥98%(GC) , CAS No.22929-52-8

CAS: 22929-52-8 Cat. No.: T161567 Peso molecular: 86.09 Número EC: 805-925-0 PubChem CID: 529392

GRADE & PURITY ≥98%(GC)

Synonyms

PS-9364 | DTXSID80336157 | Butyric acid, 4-hydroxy-, monosodium salt | CHEBI:166530 | SY003100 | 3-Oxotetrahydrofuran | BCP14176 | EN300-70361 | 4,5-dihydro-3(2h)-furanone | tetrahydrofuran-3 -one | FT-0600069 | oxotetrahydrofuran | 3(2H)-Furanone, dihydr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

PS-9364 | DTXSID80336157 | Butyric acid, 4-hydroxy-, monosodium salt | CHEBI:166530 | SY003100 | 3-Oxotetrahydrofuran | BCP14176 | EN300-70361 | 4, 5-dihydro-3(2h)-furanone | tetrahydrofuran-3 -one | FT-0600069 | oxotetrahydrofuran | 3(2H)-Furanone, dihydr

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504759158
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759158
• Sonrisas canónicas: C1COCC1=O
• IUPAC Name: oxolan-3-one
• InChIKey: JLPJFSCQKHRSQR-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
• Isómeros SMILES: C1COCC1=O
• PubChem CID: 529392
• Peso molecular: 86.09
• Reaxy-Rn: 105200

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanones
• Alternative Parents: Tetrahydrofurans Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-furanone - Tetrahydrofuran - Cyclic ketone - Ketone - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanones. These are compounds containing a furan ring bearing a ketone group.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.44
• Punto de inflamación (°F): 56°C
• Punto de inflamación (°C): 56°C
• Punto de ebullición (°C): 68°C/60mmHg
• Peso molecular: 86.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 67.900
• 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