2-Ethyl-2-methyl-1,3-dioxolane - ≥98% , CAS No.126-39-6

CAS: 126-39-6 Cat. No.: E156042 Peso molecular: 116.16 Beilstein Registry Number: 19(5)1,83 Número EC: 204-785-2

GRADE & PURITY ≥98%

Synonyms

2-Methyl-2-ethyl-1,3-dioxolane | InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3 | 2-Butanone, cyclic 1,2-ethanediyl acetal | 2-Ethyl-2-methyldioxolane | BRN 0102815 | Y488VJJ1FV | AKOS015838611 | 2-Butanone,2-ethanediyl acetal | 1,3-Dioxolane, ethylmethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Methyl-2-ethyl-1, 3-dioxolane | InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2, 1-2H3 | 2-Butanone, cyclic 1, 2-ethanediyl acetal | 2-Ethyl-2-methyldioxolane | BRN 0102815 | Y488VJJ1FV | AKOS015838611 | 2-Butanone, 2-ethanediyl acetal | 1, 3-Dioxolane, ethylmethy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183438
• Sonrisas canónicas: CCC1(OCCO1)C
• IUPAC Name: 2-ethyl-2-methyl-1,3-dioxolane
• InChIKey: UPZFLZYXYGBAPL-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3
• Isómeros SMILES: CCC1(OCCO1)C
• WGK Alemania: 3
• RTECS: JH7700000
• Peso molecular: 116.16
• Beilstein: 19(5)1,83
• Reaxy-Rn: 102815
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102815&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°F): 55.4 °F
• Punto de inflamación (°C): 13°C(lit.)
• Punto de ebullición (°C): 117°C(lit.)
• Peso molecular: 116.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.600
• 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