1-Methyl-1,2-epoxycyclohexane - ≥95%(GC) , CAS No.1713-33-3

CAS: 1713-33-3 Cat. No.: M158366 Peso molecular: 112.17 Beilstein Registry Number: 17(5)1,220 Número EC: 677-561-9

GRADE & PURITY ≥95%(GC)

Synonyms

SCHEMBL1262673 | 1-Methyl-1,2-cyclohexene oxide | 1,2-Epoxy-1-methylcyclohexane | 1-Methylepoxycyclohexane | 7-Oxabicyclo[4.1.0]heptane, 1-methyl- | J-800019 | BS-52385 | DTXSID20873233 | 7-Oxabicyclo[4.1.0]heptane, methyl- | 1-Methyl-7-oxabicyclo[4.1.0]h

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL1262673 | 1-Methyl-1, 2-cyclohexene oxide | 1, 2-Epoxy-1-methylcyclohexane | 1-Methylepoxycyclohexane | 7-Oxabicyclo[4.1.0]heptane, 1-methyl- | J-800019 | BS-52385 | DTXSID20873233 | 7-Oxabicyclo[4.1.0]heptane, methyl- | 1-Methyl-7-oxabicyclo[4.1.0]h

Especificaciones y pureza

≥95%(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

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504757936
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757936
• Sonrisas canónicas: CC12CCCCC1O2
• IUPAC Name: 1-methyl-7-oxabicyclo[4.1.0]heptane
• InChIKey: FIEKVYPYFQSFTP-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c1-7-5-3-2-4-6(7)8-7/h6H,2-5H2,1H3
• Isómeros SMILES: CC12CCCCC1O2
• Peso molecular: 112.17
• Beilstein: 17(5)1,220
• Reaxy-Rn: 102878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• External Descriptors: a small molecule

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 (°C): 23 °C
• Punto de ebullición (°C): 138 °C
• Peso molecular: 112.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1