Dibutyl oxalate - ≥99%(GC) , CAS No.2050-60-4

CAS: 2050-60-4 Cat. No.: D135792 Formula: C₁₀H₁₈O₄ Peso molecolare: 202.25 Beilstein Registry Number: 2540 Numero EC: 218-092-8

GRADE & PURITY ≥99%(GC)

Synonyms

MFCD00009442 | InChI=1/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H | FT-0634005 | Butyl ethanedioate | Dibutyl oxalate, 99% | NSC 8468 | Di-n-butyl oxalate | Dibutyl ester of oxalic acid | DTXCID5021916 | LS-13877 | Ethanedioic acid, 1,2-dibuty

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

The rate of dibutyl oxalate degradation in ruminal contents from adapted and non-adapted animals was studied.

Specifications

Sinonimi

MFCD00009442 | InChI=1/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H | FT-0634005 | Butyl ethanedioate | Dibutyl oxalate, 99% | NSC 8468 | Di-n-butyl oxalate | Dibutyl ester of oxalic acid | DTXCID5021916 | LS-13877 | Ethanedioic acid, 1,2-dibuty

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%(GC)

Nomi e identificatori

• Pubchem Sid: 528775444
• Sorrisi canonici: CCCCOC(=O)C(=O)OCCCC
• IUPAC Name: dibutyl oxalate
• InChIKey: JKRZOJADNVOXPM-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
• Isomeri SMILES: CCCCOC(=O)C(=O)OCCCC
• WGK Germania: 3
• Peso molecolare: 202.25
• Beilstein: 2540
• Reaxy-Rn: 1776065
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: Practically insoluble; Very soluble in Ether,Ethanol
• Indice di rifrazione: 1.42
• Punto di infiammabilità (°F): 228.2 °F
• Punto di infiammabilità (°C): 109 °C
• Punto di ebollizione (°C): 246 °C
• Punto di fusione (°C): -29°C(lit.)
• Peso molecolare: 202.250 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• 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

Riferimenti

1. Xiaomeng Deng, Wensheng Wei, Zizhen Yan, Zhanguo Zhang, Yuxin Wang, Guangwen Xu, Jianjun Guo, Jinggang Zhao, Lei Shi.  (2024)  Product as additive for facilitating CO2 conversion into cyclic carbonate.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2024.102850]