≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ethyl valerate is also known as the green apple flavor. Microwave spectrum of ethyl valerate, observed by molecular beam Fourier transform microwave spectroscopy, has been reported.
| Canonical Smiles | CCCCC(=O)OCC |
|---|---|
| IUPAC Name | ethyl pentanoate |
| InChIKey | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3 |
| Isomeric SMILES | CCCCC(=O)OCC |
| WGK Germany | 3 |
| UN Number | 3272 |
| Molecular Weight | 130.18 |
| Beilstein | 1744680 |
| Reaxy-Rn | 1744680 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744680&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 | 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2418222 | Certificate of Analysis | Jun 28, 2024 | E683749 |
| F2418223 | Certificate of Analysis | Jun 28, 2024 | E683749 |
| F2418224 | Certificate of Analysis | Jun 28, 2024 | E683749 |
| F2418225 | Certificate of Analysis | Jun 28, 2024 | E683749 |
| Refractive Index | 1.399-1.401 |
|---|---|
| Flash Point(°F) | 93.2 °F |
| Flash Point(°C) | 27℃ |
| Boil Point(°C) | 145.5°C |
| Melt Point(°C) | -91.2°C |
| Molecular Weight | 130.180 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| 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 | 79.000 |
| 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. Zijian Miao, Yu Bai, Xinlei Wang, Chao Han, Bowen Wang, Zexia Li, Jinyuan Sun, Fuping Zheng, Yuhang Zhang, Baoguo Sun. (2023) Unravelling Metabolic Heterogeneity of Chinese Baijiu Fermentation in Age-Gradient Vessels. Foods, 12 (18): (3425). [PMID:37761135] [10.3390/foods12183425] |
| 2. Xiaojie Geng, Qing Li, Xinlei Wang, Lin Zhu, Bowen Wang, Fuping Zheng, Guangnan Wang, Erbao Chen, Yuhang Zhang. (2023) Environmental factors induced metabolome shifts during Laobaigan-flavor Baijiu fermentation. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105570] |
| 3. 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] |
| 4. Kaixiong Peng, Qunyong Tang, Yuhan Zheng, Fang Ji, Xiaoming Chen. (2023) Analysis of volatile components in different broken rice by HS-SPME/GC-TOFMS. FLAVOUR AND FRAGRANCE JOURNAL, 38 (3): (204-216). [PMID:] [10.1002/ffj.3733] |
| 5. 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] |
| 6. Xiaojing Zhang, Pei Gao, Wenshui Xia, Qixing Jiang, Shaoquan Liu, Yanshun Xu. (2022) Characterization of key aroma compounds in low-salt fermented sour fish by gas chromatography-mass spectrometry, odor activity values, aroma recombination and omission experiments. FOOD CHEMISTRY, [PMID:35908468] [10.1016/j.foodchem.2022.133773] |
| 7. 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] |
| 8. Fenhong Song, Dapeng Ju, Jing Fan, Xiaopo Wang, Gang Wang. (2019) Measurement of the thermal conductivity of five aliphatic esters in the liquid phase. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2019.06.014] |
| 9. 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] |
| 10. Yue Chuan-Jun, Gu Li-Ping, Su Yang, Zhu Shao-Ping. (2014) Selective hydrogenolysis of glycerol to 1,2-propanediol over MgO-nested Raney Cu. Reaction Kinetics Mechanisms and Catalysis, 111 (2): (633-645). [PMID:] [10.1007/s11144-013-0670-2] |
| 11. Baoqing Bai, Lanqi Zhang, Ying Zhang, Bin Feng, Tao Bo, Jinhua Zhang, Sanhong Fan, Yukun Yang. (2024) Comparative analysis of flavor characteristics of two rounds of Qingxiangxing Baijiu by GC×GC-TOFMS, HS-GC-IMS, GC-E-nose and E-tongue. Food Bioscience, [PMID:] [10.1016/j.fbio.2024.105789] |
| 12. 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] |
| 13. 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] |
| 14. Lin Yuan, Yunjie Li, Liuyan Zheng, Yifan Qin, Xin Zhang, Lijuan Ma, Huan Zhang, Liping Du. (2025) Impact of organic acids on aroma release in light-flavor Baijiu: A focus on key aroma-active compounds. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.106071] |
| 15. 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] |
| 16. Huan Zhang, Liuyan Zheng, Kaixuan Zhu, Tianxu Liu, Lexuan Yang, Lijuan Ma, Xin Zhang, Lin Yuan, Liping Du. (2025) Impact of Alcohol Content on Alcohol–Ester Interactions in Qingxiangxing Baijiu Through Threshold Analysis. Foods, 14 (24): (4290). [PMID:41464996] [10.3390/foods14244290] |
