Dimethyl 2,5-Dioxahexanedioate - ≥98% , CAS No.88754-66-9

CAS: 88754-66-9 Cat. No.: D155962 Summenformel: C₆H₁₀O₆ Molekulargewicht: 178.14

GRADE & PURITY ≥98%

Synonyms

2,5-Dioxahexanedioic Acid Dimethyl Ester

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,5-Dioxahexanedioic Acid Dimethyl Ester

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488189141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189141
• Kanonisches Lächeln: COC(=O)OCCOC(=O)OC
• IUPAC Name: 2-methoxycarbonyloxyethyl methyl carbonate
• InChIKey: DOMLQXFMDFZAAL-UHFFFAOYSA-N
• INCHI: 1S/C6H10O6/c1-9-5(7)11-3-4-12-6(8)10-2/h3-4H2,1-2H3
• Isomere SMILES: COC(=O)OCCOC(=O)OC
• Molekulargewicht: 178.14
• Reaxy-Rn: 1781889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781889&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.42
• Flammpunkt (°C): 82 °C
• Siedepunkt (°C): 220°C(lit.)
• Molekulargewicht: 178.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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

Referenzen

1. Yulai Wei, Ziyi Wang, Zifeng Ming, Sida Zhang, Zhiwei Shen, Pinyi Wang, Weigen Chen.  (2025)  Variation characteristics of electrolyte by-product DMDOHC in lithium-ion batteries under overcharge.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40543390] [10.1016/j.saa.2025.126572]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 88754-66-9, the molecular formula is C6H10O6, and the molecular weight is 178.14 g/mol. InChIKey DOMLQXFMDFZAAL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.