Dimethyl carbonate - Ultra dry,≥99%,water≤20 ppm , CAS No.616-38-6

CAS: 616-38-6 Cat. No.: D1520949 Formule: C₃H₆O₃ Poids moléculaire: 90.08 Beilstein Registry Number: 3,4 Numéro CE: 210-478-4

GRADE & PURITY Ultra dry, ≥99%, water≤20 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Spécifications et pureté

Ultra dry,≥99%,water≤20 ppm

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Ultra dry

Pureté

≥99%

Noms et identifiants

Sourires canoniques

COC(=O)OC

IUPAC Name

dimethyl carbonate

InChIKey

IEJIGPNLZYLLBP-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

COC(=O)OC

WGK Allemagne

1

RTECS

FG0450000

Numéro ONU

1161

Groupe d'emballage

II

Poids moléculaire

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
    • 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
• 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Indice de réfraction: 1.3687
• Point d'éclair (°F): 60.8 °F
• Point d'éclair (°C): 16 °C
• Point d'ébullition (°C): 90-91°C
• Point de fusion (°C): 2-4°C
• Poids moléculaire: 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