Diethyl succinate - ≥99% , CAS No.123-25-1

CAS: 123-25-1 Cat. No.: D103963 Molecular Weight: 174.19 Beilstein Registry Number: 907645 EC Number: 204-612-0

GRADE & PURITY ≥99%

Synonyms

Diethylester kyseliny jantarove | F70092 | Diethylester kyseliny jantarove [Czech] | EN300-18004 | Tox21_300286 | DTXSID2038732 | DIETHYL SUCCINATE [FHFI] | Diethyl succinate, ReagentPlus(R), 99% | 1,4-diethyl butanedioate | Q-100106 | SCHEMBL22780 | Diet

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Diethyl succinate is used in Stobbe condensation as the ester reagent that requires a weaker base than the Claisen condensation.
A Stobbe condensation ester reagent

Specifications

Synonyms

Diethylester kyseliny jantarove | F70092 | Diethylester kyseliny jantarove [Czech] | EN300-18004 | Tox21_300286 | DTXSID2038732 | DIETHYL SUCCINATE [FHFI] | Diethyl succinate, ReagentPlus(R), 99% | 1, 4-diethyl butanedioate | Q-100106 | SCHEMBL22780 | Diet

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504753438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753438
• Canonical Smiles: CCOC(=O)CCC(=O)OCC
• IUPAC Name: diethyl butanedioate
• InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
• Isomeric SMILES: CCOC(=O)CCC(=O)OCC
• WGK Germany: 2
• RTECS: WM7400000
• Molecular Weight: 174.19
• Beilstein: 907645
• Reaxy-Rn: 907645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907645&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.4201
• Flash Point(°C): 110℃
• Boil Point(°C): 216.5°C
• Melt Point(°C): -21°C
• Molecular Weight: 174.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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

References

1. Wei Jia, Chenna Di, Rong Zhang, Lin Shi.  (2022)  Ethyl carbamate regulate esters degradation by activating hydrolysis during Baijiu ripening.  FOOD RESEARCH INTERNATIONAL,      [PMID:35651023] [10.1016/j.foodres.2022.111157]

2. Huiyong Wang, Jingjing Cui, Yuling Zhao, Zhiyong Li, Jianji Wang.  (2020)  Highly efficient separation of 5-hydroxymethylfurfural from imidazolium-based ionic liquids.  GREEN CHEMISTRY,  23  (1): (405-411).  [PMID:] [10.1039/D0GC03557B]

3. Wenhu Xu, Jianzhong Jiang, Qixiang Xu, Min Zhong.  (2020)  Drinking tastes of Chinese rice wine under different heating temperatures analyzed by gas chromatography–mass spectrometry and tribology tests.  JOURNAL OF TEXTURE STUDIES,  52  (1): (124-136).  [PMID:33184839] [10.1111/jtxs.12571]

4. Zhe Wang, Xizhen Sun, Yuancai Liu, Hong Yang.  (2020)  Characterization of Key Aroma Compounds in Xiaoqu Liquor and Their Contributions to the Sensory Flavor.  Beverages,  6  (3): (42).  [PMID:] [10.3390/beverages6030042]

5. Jiequn Wu, Weiming Hua, Yinghong Yue, Zi Gao.  (2020)  Efficient Aerobic Oxidation of Ethyl Lactate to Ethyl Pyruvate over V2O5/g-C3N4 Catalysts.  ACS Omega,      [PMID:32656442] [10.1021/acsomega.0c01822]

6. Xiaojiang Liang, Yanren Fei, Qinglong Xie, Yang Liu, Meizhen Lu, Fan Xia, Yong Nie, Jianbing Ji.  (2019)  Sulfuryl Fluoride Absorption from Fumigation Exhaust Gas by Biobased Solvents: Thermodynamic and Quantum Chemical Analysis.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b06112]

7. Zhao Jiangbin, Agaba Aphra, Sui Xiaofeng, Mao Zhiping, Xu Hong, Zhong Yi, Zhang Linping, Wang Bijia.  (2018)  A heterogeneous binary solvent system for recyclable reactive dyeing of cotton fabrics.  CELLULOSE,  25  (12): (7381-7392).  [PMID:] [10.1007/s10570-018-2069-8]

8. Xinyan Wan, Dezhang Ren, Yunjie Liu, Jun Fu, Zhiyuan Song, Fangming Jin, Zhibao Huo.  (2018)  Facile Synthesis of Dimethyl Succinate via Esterification of Succinic Anhydride over ZnO in Methanol.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.7b02598]

9. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]

10. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]

11. Xiaomin Wang, Meigui Huang, Yishun Yao, Jingyang Yu, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2024)  Difference comparison of characteristic aroma compounds between braised pork cooked by traditional open-fire and induction cooker and the potential formation cause under electromagnetic cooking.  FOOD RESEARCH INTERNATIONAL,      [PMID:38823846] [10.1016/j.foodres.2024.114506]

12. Li Wang, Jianfeng Zhang, Shixin Meng, Huiyong Wu, Yunze Zhao, Zhen Meng, Lei Feng, Huanting Wang, Yuan Cheng, Liangrong Yang, Huizhou Liu.  (2024)  Recovery of lithium from high Mg2+/Li+ ratio brine using a novel solvent extraction system TOP-FeCl3-MIBK.  DESALINATION,      [PMID:] [10.1016/j.desal.2024.118445]

13. Mengqing Gao, Minhui Shi, Hao Ding, Lei Xu, Na Zhao, Li Wang, Shujuan Huang, Hui Jiang, Ekaterina Bourova-Flin, Jianqing Mi, Saadi Khochbin, Domenico Iuso, Xiaoyu Zhu.  (2025)  SUCLG1 deficiency-induced histone succinylation impairs oncogene expression in acute myeloid leukemia.  Cell Reports,      [PMID:40811057] [10.1016/j.celrep.2025.116147]

14. Zerui Su, Jian Zhang, Yang Li, Zheyu Qiao, Ziyuan Qiao, Lihang Wei, Xiaoyuan Qin, Xiaoxue Mu, Feng-Shou Xiao.  (2025)  Efficient dehydrogenation of ethanol to acetaldehyde over silica supported Cu catalyst prepared from microwave-assisted wet-kneading.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2025.121664]

15. Nian Cao, Yubo Yang, Xiaoling Xiong, Bohan Zhang, Ping Xiang, Fan Yang.  (2026)  Dynamic sensory mapping: how sip volume shapes sensory perception and drinking comfort of Jiangxiangxing Baijiu.  INTERNATIONAL JOURNAL OF FOOD PROPERTIES,      [PMID:] [10.1080/10942912.2026.2618833]