≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| 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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2210419 | Certificate of Analysis | Mar 16, 2026 | D103962 |
| F2513360 | Certificate of Analysis | Jun 16, 2025 | D103962 |
| F2513385 | Certificate of Analysis | Jun 16, 2025 | D103962 |
| F2513386 | Certificate of Analysis | Jun 16, 2025 | D103962 |
| D2503023 | Certificate of Analysis | Apr 14, 2025 | D103962 |
| K2208157 | Certificate of Analysis | Nov 28, 2024 | D103962 |
| J2414415 | Certificate of Analysis | Oct 19, 2024 | D103962 |
| D2408070 | Certificate of Analysis | Apr 19, 2024 | D103962 |
| C1615290 | Certificate of Analysis | Oct 09, 2023 | D103962 |
| K1502040 | Certificate of Analysis | Jul 14, 2023 | D103962 |
| J2218287 | Certificate of Analysis | Oct 25, 2022 | D103962 |
| F2210438 | Certificate of Analysis | Jun 17, 2022 | D103962 |
| 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 |
| 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] |
