Diethyl 2,5-Dioxahexanedioate - ≥98%(GC) , CAS No.35466-87-6

CAS: 35466-87-6 Cat. No.: D155964 Fórmula: C₈H₁₄O₆ Peso molecular: 206.19

GRAU & PUREZA ≥98%(GC)

Synonyms

DTXSID00524630 | 2-ethoxycarbonyloxyethyl ethyl carbonate | D90067 | Diethyl 2,5-Dioxahexanedioate | D2456 | Ethane-1,2-diyl diethyl bis(carbonate) | 2,5-Dioxahexanedioic Acid Diethyl Ester | SCHEMBL1718009 | MFCD00460005 | 2,5-DIOXAHEXANEDIOICACIDDIETHYL

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

DTXSID00524630 | 2-ethoxycarbonyloxyethyl ethyl carbonate | D90067 | Diethyl 2,5-Dioxahexanedioate | D2456 | Ethane-1,2-diyl diethyl bis(carbonate) | 2,5-Dioxahexanedioic Acid Diethyl Ester | SCHEMBL1718009 | MFCD00460005 | 2,5-DIOXAHEXANEDIOICACIDDIETHYL

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

528755515

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755515

Sorrisos canónicos

CCOC(=O)OCCOC(=O)OCC

IUPAC Name

2-ethoxycarbonyloxyethyl ethyl carbonate

InChIKey

MYNUAGYBVSQRFN-UHFFFAOYSA-N

INCHI

1S/C8H14O6/c1-3-11-7(9)13-5-6-14-8(10)12-4-2/h3-6H2,1-2H3

SMILES isoméricas

CCOC(=O)OCCOC(=O)OCC

Peso molecular

206.19

Reaxy-Rn

1710731

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710731&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°C): 101 °C
• Ponto de ebulição (°C): 227°C(lit.)
• Peso molecular: 206.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 206.079 Da
• Monoisotopic Mass: 206.079 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 159.000
• 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