4,5-Dimethyl-1,3-dioxol-2-one - ≥99%(GC) , CAS No.37830-90-3

CAS: 37830-90-3 Cat. No.: D134948 Peso molecular: 114.1 Número EC: 678-111-4

GRADE & PURITY ≥99%(GC)

Synonyms

4,5-dimethyl-1,3-dioxolen-2-one | dimethyl-2H-1,3-dioxol-2-one | QYIOFABFKUOIBV-UHFFFAOYSA- | EN300-124927 | AS-10965 | CHEBI:169566 | Dimethyldioxolone | J-514098 | SCHEMBL25614 | 4,5-Dimethyl-1,3-dioxol-2-one # | DTXSID70958862 | MFCD00135139 | 4,5-dime

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4, 5-dimethyl-1, 3-dioxolen-2-one | dimethyl-2H-1, 3-dioxol-2-one | QYIOFABFKUOIBV-UHFFFAOYSA- | EN300-124927 | AS-10965 | CHEBI:169566 | Dimethyldioxolone | J-514098 | SCHEMBL25614 | 4, 5-Dimethyl-1, 3-dioxol-2-one # | DTXSID70958862 | MFCD00135139 | 4, 5-dime

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488188134
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188134
• Sonrisas canónicas: CC1=C(OC(=O)O1)C
• IUPAC Name: 4,5-dimethyl-1,3-dioxol-2-one
• InChIKey: QYIOFABFKUOIBV-UHFFFAOYSA-N
• INCHI: 1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
• Isómeros SMILES: CC1=C(OC(=O)O1)C
• Peso molecular: 114.1
• Reaxy-Rn: 1237084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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

• Punto de ebullición (°C): 130°C/6mmHg
• Punto de fusión (°C): 78 °C
• Peso molecular: 114.100 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.032 Da
• Monoisotopic Mass: 114.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 141.000
• 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