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 EC: 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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504754280

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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
    • Clase Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°C): 76°C
• Punto de ebullición (°C): 207.2°C
• Punto de fusión (°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