Diethyl carbonate(DEC) - ≥99% , CAS No.105-58-8

CAS: 105-58-8 Cat. No.: D103040 Formule: C₅H₁₀O₃ Poids moléculaire: 118.13 Beilstein Registry Number: 3,5 Numéro CE: 203-311-1

GRADE & PURITY ≥99%

Synonyms

Ethyl carbonate | Carbonic acid diethyl ester

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonymes

Ethyl carbonate | Carbonic acid diethyl ester

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504751449

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751449

Sourires canoniques

CCOC(=O)OCC

IUPAC Name

diethyl carbonate

InChIKey

OIFBSDVPJOWBCH-UHFFFAOYSA-N

INCHI

1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

Isomères SMILES

CCOC(=O)OCC

WGK Allemagne

1

Numéro ONU

2366

Groupe d'emballage

III

Poids moléculaire

118.13

Beilstein

3,5

Reaxy-Rn

956591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956591&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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with diehtyl ether, ethanol and chloroform.Immiscible with water.
• Sensibilité: Moisture Sensitive
• Indice de réfraction: 1.3843
• Point d'éclair (°F): 77 °F
• Point d'éclair (°C): 25℃
• Point d'ébullition (°C): 126-128°C
• Point de fusion (°C): -43°C
• Poids moléculaire: 118.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.100
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 105-58-8, the molecular formula is C5H10O3, and the molecular weight is 118.13 g/mol. InChIKey OIFBSDVPJOWBCH-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.