carbonic acid dibutyl ester(DC) - ≥98% , CAS No.542-52-9

CAS: 542-52-9 Cat. No.: C303940 Fórmula: C₉H₁₈O₃ Peso molecular: 174.23 Número CE: 208-816-0

GRADE & PURITY ≥98%

Synonyms

N-BUTYL CARBONATE [MI] | EINECS 208-816-0 | n-C4H9OC(O)OC4H9-n | Dibutylcarbonate | Dibuthyl carbonate | MFCD00043938 | SCHEMBL37837 | Q27263518 | Dibutyl carbonate | Di-n-butyl carbonate; Dibutyl carbonate; Jeffsol AG 1560; NSC 8462; n-Butyl carbonate; C

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

N-BUTYL CARBONATE [MI] | EINECS 208-816-0 | n-C4H9OC(O)OC4H9-n | Dibutylcarbonate | Dibuthyl carbonate | MFCD00043938 | SCHEMBL37837 | Q27263518 | Dibutyl carbonate | Di-n-butyl carbonate; Dibutyl carbonate; Jeffsol AG 1560; NSC 8462; n-Butyl carbonate; C

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754280

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754280

Sorrisos canónicos

CCCCOC(=O)OCCCC

IUPAC Name

dibutyl carbonate

InChIKey

QLVWOKQMDLQXNN-UHFFFAOYSA-N

INCHI

1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3

SMILES isoméricas

CCCCOC(=O)OCCCC

Peso molecular

174.23

Reaxy-Rn

1759273

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759273&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

• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.41
• Ponto de inflamação (°C): 76°C
• Ponto de ebulição (°C): 207.2°C
• Ponto de fusão (°C): < 25°C
• Peso molecular: 174.240 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 174.126 Da
• Monoisotopic Mass: 174.126 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 100.000
• 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