≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182854 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182854 |
| Sourires canoniques | CCC(C)C(=O)OCC |
| IUPAC Name | ethyl 2-methylbutanoate |
| InChIKey | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 |
| Isomères SMILES | CCC(C)C(=O)OCC |
| WGK Allemagne | 1 |
| Numéro ONU | 1993 |
| Groupe d'emballage | I |
| Poids moléculaire | 130.18 |
| Beilstein | 1720887 |
| Reaxy-Rn | 1720887 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720887&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 |
| Classe | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 | Wax monoesters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 H2606331 | Certificate of Analysis | Jul 24, 2026 | E117676 |
| H2606332 | Certificate of Analysis | Jul 24, 2026 | E117676 |
| H2606648 | Certificate of Analysis | Jul 24, 2026 | E117676 |
| K2421137 | Certificate of Analysis | Nov 25, 2024 | E117676 |
| D2617103 | Certificate of Analysis | Jul 09, 2024 | E117676 |
| G2501396 | Certificate of Analysis | Jul 09, 2024 | E117676 |
| G2501400 | Certificate of Analysis | Jul 09, 2024 | E117676 |
| G2501422 | Certificate of Analysis | Jul 09, 2024 | E117676 |
| K1915115 | Certificate of Analysis | Sep 05, 2023 | E117676 |
| H1527089 | Certificate of Analysis | Apr 14, 2023 | E117676 |
| D2310357 | Certificate of Analysis | May 17, 2022 | E117676 |
| D2310370 | Certificate of Analysis | May 17, 2022 | E117676 |
| F2207182 | Certificate of Analysis | May 17, 2022 | E117676 |
| F2207183 | Certificate of Analysis | May 17, 2022 | E117676 |
| F2207184 | Certificate of Analysis | May 17, 2022 | E117676 |
| F2207185 | Certificate of Analysis | May 17, 2022 | E117676 |
| Indice de réfraction | 1.397 |
|---|---|
| Point d'éclair (°F) | 78.8 °F |
| Point d'éclair (°C) | 26 °C |
| Point d'ébullition (°C) | 133°C |
| Poids moléculaire | 130.180 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099 Da |
| Monoisotopic Mass | 130.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Tian-Tian Ma, Cheng Yang, Hai-Long Qian, Piming Ma, Tianxi Liu, Xiu-Ping Yan. (2023) Trifluoromethyl-Functionalized 2D Covalent Organic Framework for High-Resolution Separation of Isomers. ACS Applied Materials & Interfaces, [PMID:37367939] [10.1021/acsami.3c05369] |
| 2. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang. (2023) Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches. FOOD CHEMISTRY, [PMID:37247603] [10.1016/j.foodchem.2023.136429] |
| 3. Ruifang Wang, Qingzhen Zhu, Lina Qiao, Jing Wang, Shengbao Feng, Hailang Sun, Ning Zhang, Baoguo Sun, Jinyuan Sun, Hehe Li, Haitao Chen. (2023) Characterization of the key aroma-active compounds in Qingke baijiu by application of the sensory approach. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105196] |
| 4. Yujiao Cheng, Guijie Li, Houjiu Wu, Linhua Huang, Hua Wang. (2021) Identification of Light-Induced Key Off-Flavors in Ponkan Mandarin Juice Using MDGC-MS/O and GC–MS/PFPD. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34784211] [10.1021/acs.jafc.1c05465] |
| 5. Lin Zhu, Xinlei Wang, Xuebo Song, Fuping Zheng, Hehe Li, Feng Chen, Yuhang Zhang, Fuyan Zhang. (2019) Evolution of the key odorants and aroma profiles in traditional Laowuzeng baijiu during its one-year ageing. FOOD CHEMISTRY, [PMID:31816535] [10.1016/j.foodchem.2019.125898] |
| 6. Jianping Wei, Yuxiang Zhang, Yue Qiu, Hong Guo, Hongmei Ju, Yuwei Wang, Yahong Yuan, Tianli Yue. (2019) Chemical composition, sensorial properties, and aroma-active compounds of ciders fermented with Hanseniaspora osmophila and Torulaspora quercuum in co- and sequential fermentations. FOOD CHEMISTRY, [PMID:31606633] [10.1016/j.foodchem.2019.125623] |
| 7. Yujiao Cheng, Leng Han, Linzi Shao, Hua Wang, Zheng Guo, Guijie Li. (2024) Comparative investigation on the aroma profiles of edible citrus flowers in the main organs and different developmental stages. Food Chemistry-X, [PMID:39022788] [10.1016/j.fochx.2024.101568] |
| 8. Zhe Cai, Qinbo Jiang, Ruihao Zhang, Yifang Ma, Kaini Chen, Shijie Zheng, Peng Li, Cheng Zeng, Hui Zhang. (2024) Comparison of extraction and refinement techniques for volatile compound analysis in camellia oil. FOOD CHEMISTRY, [PMID:39709918] [10.1016/j.foodchem.2024.142501] |
| 9. Jijuan Zhou, Dianlong Ge, Yue Liu, Yajing Chu, Xiangxue Zheng, Yan Lu, Yannan Chu. (2024) Developing Multiple Media Approach to Investigate Reproducible Characteristic VOCs of Lung Cancer Cells. ANALYTICAL CHEMISTRY, [PMID:39692311] [10.1021/acs.analchem.4c03894] |
| 10. Dehao Meng, Dongbo Zhao, Zhichao Zhao, Xiaoxue Wang, Yi Wu, Yonghui Li, Zhaolin Lv, Qilin Zhong. (2025) Revealing key aroma compounds and the potential metabolic pathways in sea buckthorn berries. FOOD CHEMISTRY, [PMID:39986073] [10.1016/j.foodchem.2025.143430] |
| 11. Jiacheng Li, Cong Li, Xueli Chen, Xianyan Liao, Hui Zhou, Baocai Xu, Li Zhang, Liming Jiang. (2025) Characteristic aroma changes during the sauce-flavoured black pork processing based on HS-SPME-GC-O-MS and aroma recombination/omission experiments of the final product. FOOD RESEARCH INTERNATIONAL, [PMID:41606840] [10.1016/j.foodres.2025.117225] |
| 12. Wen-Chao Deng, Hai-Long Qian, Cheng Yang, Shu-Ting Xu, Xiu-Ping Yan. (2025) Multi-component strategy for the preparation of covalent organic frameworks-based stationary phase for high resolution separation of isomers. TALANTA, [PMID:40915031] [10.1016/j.talanta.2025.128794] |
| 13. Xinyu Wang, Peilin Yu, Tao Wang, Chuanqi Chu, Zhijia Liu, Ming Du, Junjie Yi. (2025) Novel insights into p-cresol production in fermented bamboo shoots: Core microbiota and metabolic signatures. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2025.118940] |
| 14. 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] |
