Dimethyl carbonate - ≥99% , CAS No.616-38-6

CAS: 616-38-6 Cat. No.: D110625 Formula: C₃H₆O₃ Molecular Weight: 90.08 Beilstein Registry Number: 3,4 EC Number: 210-478-4

GRADE & PURITY ≥99%

Synonyms

Dimethyl carbonate | DIMETHYLCARBONATE | Methyl carbonate | Carbonic Acid Dimethyl Ester | Methyl carbonate ((MeO)2CO) | Carbonic acid, dimethyl ester

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

Dimethyl carbonate | DIMETHYLCARBONATE | Methyl carbonate | Carbonic Acid Dimethyl Ester | Methyl carbonate ((MeO)2CO) | Carbonic acid, dimethyl ester

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99%

Product Line

D110625-100ml

Names and Identifiers

Pubchem Sid

508815600

Canonical Smiles

COC(=O)OC

IUPAC Name

dimethyl carbonate

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

INCHI

1S/C3H6O3/c1-5-3(4)6-2/h1-2H3

Isomeric SMILES

COC(=O)OC

WGK Germany

1

RTECS

FG0450000

UN Number

1161

Packing Group

II

Molecular Weight

90.08

Beilstein

3,4

Reaxy-Rn

635821

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635821&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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: carbonate ester

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

Chemical and Physical Properties

• Solubility: Soluble in water (react), ether, alcohol, acid, and alkalies.
• Sensitivity: Air & Moisture Sensitive
• Refractive Index: 1.3687
• Flash Point(°F): 60.8 °F
• Flash Point(°C): 16 °C
• Boil Point(°C): 90-91°C
• Melt Point(°C): 2-4°C
• Molecular Weight: 90.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• 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