Tetrahydro-4H-pyran-4-one - ≥97% , CAS No.29943-42-8

CAS: 29943-42-8 Cat. No.: T107483 Peso molecular: 100.12 Beilstein Registry Number: 106463 Número EC: 249-967-2 PubChem CID: 121599

GRADE & PURITY ≥97%

Synonyms

4H-Pyran-4-one, tetrahydro- | Tetrahydro-.gamma.-pyrone | tetrahydro-4H-pyrane-4-one | tetrahydro-4-pyranone | 4-Oxacyclohexanone | InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H | 4-Oxotetrahydropyran | 4-oxo-tetrahydropyran | SCHEMBL3221 | tetrahydo-4H-pyran-4-o

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4H-Pyran-4-one, tetrahydro- | Tetrahydro-.gamma.-pyrone | tetrahydro-4H-pyrane-4-one | tetrahydro-4-pyranone | 4-Oxacyclohexanone | InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H | 4-Oxotetrahydropyran | 4-oxo-tetrahydropyran | SCHEMBL3221 | tetrahydo-4H-pyran-4-o

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1COCCC1=O
• IUPAC Name: oxan-4-one
• InChIKey: JMJRYTGVHCAYCT-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
• Isómeros SMILES: C1COCCC1=O
• WGK Alemania: 3
• PubChem CID: 121599
• Número ONU: 1224
• Peso molecular: 100.12
• Beilstein: 106463
• Reaxy-Rn: 106463

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - 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 oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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

• Solubilidad: Very soluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.452
• Punto de inflamación (°C): 55 °C
• Punto de ebullición (°C): 69 °C/18 mmHg
• Peso molecular: 100.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.100
• 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

Referencias

1. Yang Chen, Yin Zhang, Jianda Niu, Hongli Xu, Zhixian Dong, Jinbao Xu, Caihong Lei.  (2023)  Poly(Ether-Ester)-Based Solid Polymer Electrolytes with High Li-Ion Transference Number for High Voltage All-Solid-State Lithium Metal Batteries.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.3c00061]

2. Yang Chen, Jianda Niu, Siheng Zhang, Zhixian Dong, Jinbao Xu, Caihong Lei.  (2024)  Composite polymer electrolytes based on poly(ether-ester) and Li1.3Al0.3Ti1.7(PO4)3 enabling high-performance all-solid-state flexible lithium metal batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2024.235569]