≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 504751458 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504751458 |
| カノニカル・スマイル | CCCCCCC(=O)OCC |
| IUPAC Name | ethyl heptanoate |
| InChIKey | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| INCHI | 1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 |
| 異性体SMILES | CCCCCCC(=O)OCC |
| WGKドイツ | 1 |
| RTECS | MJ2087000 |
| 分子量 | 158.24 |
| Beilstein | 1752311 |
| Reaxy-Rn | 1752311 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752311&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 |
| 分類 | 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 |
| 説明 | 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 | fatty acid ethyl ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 H2103246 | Certificate of Analysis | May 15, 2025 | E305454 |
| H2103247 | Certificate of Analysis | May 07, 2025 | E305454 |
| B2524004 | Certificate of Analysis | Jan 07, 2025 | E305454 |
| B2524171 | Certificate of Analysis | Jan 07, 2025 | E305454 |
| B2524186 | Certificate of Analysis | Jan 07, 2025 | E305454 |
| G2313182 | Certificate of Analysis | Aug 05, 2021 | E305454 |
| 感度 | Moisture sensitive. |
|---|---|
| 屈折率 | 1.412-1.414 |
| 引火点（°F） | 165.2 °F |
| 引火点（°C） | 66℃ |
| 沸点（°C） | 189°C |
| 融点（°C） | -66°C |
| 分子量 | 158.240 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.131 Da |
| Monoisotopic Mass | 158.131 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 99.700 |
| 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. Shaonan Du, Chenhui Zhang, Zhi Luo. (2023) Effect of the Molecular Structure of 1,3-Diketones on the Realization of Oil-Based Superlubricity on Steel/Steel Friction Pairs. LANGMUIR, [PMID:38134349] [10.1021/acs.langmuir.3c02988] |
| 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. Guanjia Zhao, Zemin Yuan, Xiaona Liu, Penglai Wang, Jianguo Yin, Suxia Ma. (2020) Experimental investigation and molecular dynamic simulation of thermophysical properties of biodiesel surrogates: The binary mixtures of n-hexadecane with ethyl hexanoate and ethyl heptanoate. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2020.113980] |
| 4. 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] |
| 5. 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] |
| 6. Xiangyang Liu, Chao Su, Xuetao Qi, Maogang He. (2015) Isobaric heat capacities of ethyl heptanoate and ethyl cinnamate at pressures up to 16.3 MPa. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2015.09.031] |
| 7. Yao Feng, Yi Bin, Shen Caihong, Tao Fei, Liu Yumin, Lin Zhixin, Xu Ping. (2015) Chemical Analysis of the Chinese Liquor Luzhoulaojiao by Comprehensive Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry. Scientific Reports, 5 (1): (1-6). [PMID:25857434] [10.1038/srep09553] |
| 8. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song. (2024) Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches. JOURNAL OF FOOD SCIENCE, 89 (3): (1485-1497). [PMID:38317483] [10.1111/1750-3841.16943] |
| 9. 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] |
| 10. Ruirui Li, Dongyue Yang, Zhiyu Li, Xiaohong Tang, Ke Zhong, Yan Ding, Xiaomei Han, Xueqiang Guan, Yuxia Sun. (2025) The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.105872] |
| 11. Shuxing Zhou, Chunlin Li, Li Li, Feng Xie, Karyne M. Rogers, Yuwei Yuan, Jun Huang. (2025) Differentiating volatile compounds in soy sauce that regulate the attractiveness of flesh flies (Parasarcophaga dux). FOOD CHEMISTRY, [PMID:41027210] [10.1016/j.foodchem.2025.146504] |
| 12. Xiaotong Lyu, Meiyi Zhou, Qian Wang, Lihuan Lang, Kemin Linghu, Chunhui Wei, Liangcai Lin, Paul A. Kilmartin, Cuiying Zhang. (2025) Non-volatile compounds as aroma modulators in Jiangxiang-flavor Baijiu: Regional flavor differentiation and synergistic interactions with volatile aromas. FOOD CHEMISTRY, [PMID:40499427] [10.1016/j.foodchem.2025.145015] |
| 13. Zhongbin Liu, Fengkui Xiong, Guangzhong Hu, Hongwei Xiao, Jia Zheng. (2025) Research on High-Efficiency and No-Additive Physical Aging Equipment and Process of Baijiu Production Based on High-Speed Jet Catalysis. Foods, 14 (23): (4019). [PMID:41375957] [10.3390/foods14234019] |
| 14. Xiaolei Li, Wanxin Wang, Yujia Li, Fumin Ma, Cuicui Duan, Dan Li. (2026) Deciphering flavor profile and metabolic pathways in black chokeberry Co-fermented by Lactiplantibacillus plantarum and Hansenula sp. via integrated volatilomics and metabolomics. FOOD RESEARCH INTERNATIONAL, [PMID:41763756] [10.1016/j.foodres.2026.118371] |
