Diethyl oxalate - analytical standard , CAS No.95-92-1

CAS: 95-92-1 Cat. No.: D489097 Peso molecular: 146.14 Beilstein Registry Number: 606350 Número EC: 202-464-1

GRADE & PURITY Analytical standard

Synonyms

DIETHYL OXALATE|95-92-1|Ethyl oxalate|diethyloxalate|Ethanedioic acid, diethyl ester|Diethyl ethanedioate|Oxalic acid, diethyl ester|Oxalic ether|Oxalic Acid Diethyl Ester|NSC 8851|Diethylester kyseliny stavelove|Diethyl ester of oxalic acid|860M3ZWF6J|DT

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

DIETHYL OXALATE | 95-92-1 | Ethyl oxalate | diethyloxalate | Ethanedioic acid, diethyl ester | Diethyl ethanedioate | Oxalic acid, diethyl ester | Oxalic ether | Oxalic Acid Diethyl Ester | NSC 8851 | Diethylester kyseliny stavelove | Diethyl ester of oxalic acid | 860M3ZWF6J | DT

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

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

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(=O)OCC
• IUPAC Name: diethyl oxalate
• InChIKey: WYACBZDAHNBPPB-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
• Isómeros SMILES: CCOC(=O)C(=O)OCC
• WGK Alemania: 1
• RTECS: RO2800000
• Número ONU: 2525
• Grupo de embalaje: III
• Peso molecular: 146.14
• Beilstein: 606350
• Reaxy-Rn: 606350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606350&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.4101
• Punto de inflamación (°F): 168.8℉
• Punto de inflamación (°C): 76°C
• Punto de ebullición (°C): 185°C
• Punto de fusión (°C): -41°C
• Peso molecular: 146.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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

Referencias

1. Dang Xiaofei, Li Qian, Li Huayi, Yang Yuan, Zhang Liaoyun, Hu Youliang.  (2014)  Ziegler-Natta catalysts with novel internal electron donors for propylene polymerization.  JOURNAL OF POLYMER RESEARCH,  21  (12): (1-8).  [PMID:] [10.1007/s10965-014-0619-9]

2. Hui Li, Changmiao Huang, Zixuan Teng, Yushu Luo, Chaocan Zhang, Lili Wu, Wenchao Huang, Tingting Zhao, Lijie Dong, Wanyu Chen.  (2024)  An Ionic Liquid Supramolecular Gel Electrolyte with Unique Wide Operating Temperature Range Properties for Zinc-Ion Batteries.  Polymers,  16  (12): (1680).  [PMID:38932030] [10.3390/polym16121680]

3. Shuang Liang, Hengkun Zhao, Xiangyuan Li, Yu Feng, Jingbo Zhao.  (2024)  Efficient Strategy to Enhance the Properties of Fully Biobased Linear Dimeric Acid Polyamides.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c01460]

4. Menghan Guo, Jie Ding, Guojing Ji, Tian Xie, Huiwen Pang, Xiang Li, Qin Zhong.  (2024)  Highly dispersed Ag/SiO2 catalyst with weak metal-support interaction for diethyl oxalate hydrogenation to ethyl glycolate.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.113898]

5. Tao Peng, Ji Lan, Peng Lu, Cong Deng, Ze-Yong Zhao, Yu-Zhong Wang.  (2024)  High-Performance Biobased Elastomers with Both High Strength and High Toughness.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c00290]

6. 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]

7. Zhao Yanna, Hou Wentong, Huang Yuqing, Zhang Ting, Zhang Yingying, Wang Yuqi, Bai Xiaowei.  (2023)  A Green Recyclable Vanillin-Based Polymer (Amide–Imide) Vitrimer.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,      [PMID:] [10.1007/s10924-023-03048-w]

8. Xiaolong Yu, Juan Zhang, Yan Zheng.  (2020)  Perchlorate adsorption onto epichlorohydrin crosslinked chitosan hydrogel beads.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:33187716] [10.1016/j.scitotenv.2020.143236]

9. Rongchi Zhang, Xuanbao Xiang, Donghai Sheng, Lin Zhang, Wanmeng Ren, Guoxin Xie, Shutao Wei, Huilian Dai.  (2025)  A Mechanically Robust Polyurethane Elastomer with Excellent Crack Tolerance, recyclability and Weathering Resistance via Microphase Dynamic Ordering.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA07448G]

10. Zhongzheng Zhu, Qitan Zheng, Junyi Yao, Siyu Liu, Hezhou Liu, Hua Li.  (2025)  Stress-free Two-way Shape Memory Polyurethane with High Reversible Strain and Excellent Mechanical Properties for Intelligent Actuators.  Advanced Industrial and Engineering Polymer Research,      [PMID:] [10.1016/j.aiepr.2025.11.004]