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Basic Description
| Synonyms | ETHYL CAPROATE [MI] | Ethyl n-hexanoat | n-Caproic acid ethyl ester | Caproic acid ethyl ester, Ethyl caproate | FEMA No. 2439 | UNII-FLO6YR1SHT | Ethyl hexanoate, >=98%, FCC, FG | Hexanoic acid, ethyl ester | Ethyl hexanoate, natural, >=98%, FCC, FG | To |
|---|---|
| Specifications & Purity | ≥99% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 | a small molecule |
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Names and Identifiers
| Pubchem Sid | 488183153 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183153 |
| IUPAC Name | ethyl hexanoate |
| INCHI | InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
| InChIKey | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Smiles | CCCCCC(=O)OCC |
| Isomeric SMILES | CCCCCC(=O)OCC |
| WGK Germany | 1 |
| RTECS | MO7735000 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 144.21 |
| Beilstein | 1701293 |
| Reaxy-Rn | 1701293 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701293&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2126206 |
Certificate of Analysis | Jun 09, 2025 | E103499 |
| F2123217 |
Certificate of Analysis | Apr 03, 2025 | E103499 |
| G2410175 |
Certificate of Analysis | Apr 29, 2024 | E103499 |
| G2410176 |
Certificate of Analysis | Apr 29, 2024 | E103499 |
| G2410396 |
Certificate of Analysis | Apr 29, 2024 | E103499 |
| C1901036 |
Certificate of Analysis | Dec 12, 2022 | E103499 |
| B2327620 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
| B2327621 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
| B2327554 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
| B2327625 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
| B2327559 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
| B2327619 |
Certificate of Analysis | Oct 31, 2022 | E103499 |
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Chemical and Physical Properties
| Solubility | Insoluble in water; Miscible with Alcohol,Ether |
|---|---|
| Refractive Index | 1.406-1.409 |
| Flash Point(°C) | 53℃ |
| Boil Point(°C) | 166-167°C |
| Melt Point(°C) | -67.5°C |
| Molecular Weight | 144.210 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 144.115 Da |
| Monoisotopic Mass | 144.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 89.300 |
| 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 |
Citations of This Product
| 1. Suxing Tuo, Can Liu, Cheng Wang, Bo Kong, Hongbin Lu, Kejun Zhong, Yuqiao Li, Wenjie Liu, Jianna Yu. (2024) Evaluation of Fourier deconvolution ion mobility spectrometer as high-performance gas chromatography detector for the analysis of plant extract flavors. JOURNAL OF CHROMATOGRAPHY A, 1714 (464560). |
| 2. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao. (2023) Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce. FOOD RESEARCH INTERNATIONAL, (113756). |
| 3. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu. (2023) Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App. FOOD CHEMISTRY, (137980). |
| 4. Chunlei Tan, Liang Tao, Jing Xie, Zhijin Yu, Yang Tian, Cunchao Zhao. (2023) The Effects of Ultrasonic and Gamma Irradiation on the Flavor of Potato Wines Investigated by Sensory Omics. Foods, 12 (15): (2821). |
| 5. 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, 424 (136429). |
| 6. Wenxia Tian, Xiaofang Liu, Jia Zheng, Yi Ma, Huibo Luo, Xiaogang Luo, Changjun Hou, Danqun Huo. (2023) Array-based sensing and discrimination of segmented Baijiu using organic molecules-regulated PEI@Ag NPs@Ln as fluorescent probes. FOOD CHEMISTRY, 417 (135888). |
| 7. Jiawei Li, Cailin Qiao, Huan Liu, Dong Zhao, Jing Zhang, Laichun Lu, Danqun Huo, Changjun Hou. (2023) Fluorescence Nanoparticle Sensor Array Combined with Multidimensional Data Processing for the Determination of Small Organics and the Identification of Baijiu. ANALYTICAL LETTERS, |
| 8. 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). |
| 9. Xiuzhen Xu, Weiqin Feng, Lijun Guo, Xin Huang, Bi Shi. (2023) Controlled synthesis of distiller's grains biochar for turbidity removal in Baijiu. SCIENCE OF THE TOTAL ENVIRONMENT, 867 (161382). |
| 10. Fangxue Chen, Lingwei Shen, Xujia Shi, Yi Deng, Yu Qiao, Wenjin Wu, Guangquan Xiong, Lan Wang, Xin Li, Anzi Ding, Liu Shi. (2023) Characterization of flavor perception and characteristic aroma of traditional dry-cured fish by flavor omics combined with multivariate statistics. LWT-FOOD SCIENCE AND TECHNOLOGY, 173 (114240). |
| 11. Xiaoqing Ye, Yan Liu, Changbo Peng, Xi Guan, Yi Liu, Zhenming Che, Hongbin Lin, Xu Min, Qi Zhu, Wenwu Ding. (2023) Contribution of microbial communities to flavors of Pixian Douban fermented in the closed system of multi-scale temperature and flow fields. LWT-FOOD SCIENCE AND TECHNOLOGY, 173 (114188). |
| 12. Yisong Liu, Chunfeng Liu, Xin Xu, Chengtuo Niu, Jinjing Wang, Feiyun Zheng, Qi Li. (2022) Development of a Rapid and Sensitive Fluorescence Sensing Method for the Detection of Acetaldehyde in Alcoholic Beverages. Foods, 11 (21): (3450). |
| 13. Yan Liu, Yimao Zhang, Yujiao Shi, Manna Zhang, Yi Liu, Zhenming Che, Hongbin Lin, Guangyuan Lv, Qi Zhu, Shirong Dong, Wenwu Ding. (2022) Flavor quality evaluation of Pixian Douban fermented in the closed system of multi-scale temperature and flow fields. LWT-FOOD SCIENCE AND TECHNOLOGY, 163 (113598). |
| 14. Xiong Zheng, Yanqiong Bao, Guangzhao Qin, Yu Liu. (2022) Experimental measurement and prediction of thermal conductivity of fatty acid ethyl esters: ethyl butyrate and ethyl caproate. FLUID PHASE EQUILIBRIA, 560 (113507). |
| 15. Kejing Wu, Yi Liu, Chunyan Yang, Siyang Tang, Changjun Liu, Yingying Liu, Houfang Lu, Bin Liang. (2022) Tuning the mesopore size of lignin-based porous carbon via salt templating for kraft lignin decomposition. INDUSTRIAL CROPS AND PRODUCTS, 181 (114865). |
| 16. Shaohua Lv, Yun Hao, Bohao Yang, Linghong Tang. (2022) Measurement of the Isobaric Heat Capacity for Methyl Hexanoate and Ethyl Hexanoate at Temperatures from 313 to 433 K and Pressures of up to 10 MPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 67 (4): (902–907). |
| 17. Wei Jia, Chenna Di, Rong Zhang, Lin Shi. (2022) Ethyl carbamate regulate esters degradation by activating hydrolysis during Baijiu ripening. FOOD RESEARCH INTERNATIONAL, 156 (111157). |
| 18. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu. (2021) Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu). Foods, 10 (11): (2888). |
| 19. Yao Jian, Gui Lun, Yin Shaocheng. (2021) A novel esterase from a soil metagenomic library displaying a broad substrate range. AMB Express, 11 (1): (1-10). |
| 20. Chun-Mei Zhang, Ming-Jie Xu, Yuan Gong, Xue-Wei Li, Jin-Jin Huang, Sheng-Fang Zhou, Ke Xing, Sheng Qin. (2020) Identification and characterization of nematicidal activity of organic volatiles from a Pseudomonad rhizobacterium. Rhizosphere, 16 (100244). |
| 21. 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, 317 (113980). |
| 22. Kejing Wu, Chunyan Yang, Yi Liu, Changjun Liu, Yingying Liu, Houfang Lu, Bin Liang. (2021) Hierarchical meso- and macroporous carbon from lignin for kraft lignin decomposition to aromatic monomers. CATALYSIS TODAY, 365 (214). |
| 23. Kejing Wu, Chunyan Yang, Yingming Zhu, Junbo Wang, Xueting Wang, Changjun Liu, Yingying Liu, Houfang Lu, Bin Liang, Yongdan Li. (2019) Synthesis-Controlled α- and β-Molybdenum Carbide for Base-Promoted Transfer Hydrogenation of Lignin to Aromatic Monomers in Ethanol. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 58 (44): (20270–20281). |
| 24. Guanjia Zhao, Zemin Yuan, Mingjing Fan, Jianguo Yin, Suxia Ma. (2019) Experiment and correlation of the thermophysical properties for binary and ternary liquid mixtures of three fatty acid ethyl esters and n-dodecane. JOURNAL OF MOLECULAR LIQUIDS, 290 (111207). |
| 25. 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, 138 (140). |
| 26. Zhong-Sheng Tang, Xin-An Zeng, Margaret A. Brennan, Zhong Han, Debao Niu, Yujia Huo. (2019) Characterization of aroma profile and characteristic aromas during lychee wine fermentation. JOURNAL OF FOOD PROCESSING AND PRESERVATION, 43 (8): (e14003). |
| 27. Yu Zhang, Tengjie Li, Yuanfang Liu, Xiaoyan Li, Chunmei Zhang, Zhaozhong Feng, Xue Peng, Zongyun Li, Sheng Qin, Ke Xing. (2019) Volatile Organic Compounds Produced by Pseudomonas chlororaphis subsp. aureofaciens SPS-41 as Biological Fumigants To Control Ceratocystis fimbriata in Postharvest Sweet Potatoes. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 67 (13): (3702–3710). |
| 28. Xiao-Wei Chen, Ya-Jun Chen, Jin-Mei Wang, Jian Guo, Shou-Wei Yin, Xiao-Quan Yang. (2017) Tunable volatile release from organogel-emulsions based on the self-assembly of β-sitosterol and γ-oryzanol. FOOD CHEMISTRY, 221 (1491). |
| 29. Jun-Jie Hou, Jian Guo, Jin-Mei Wang, Xiao-Quan Yang. (2016) Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 96 (13): (4449-4456). |
| 30. Xiong Zheng, Ying Zhang, Maogang He, Lili Liang, Xinxin He. (2016) Speed of sound measurement and prediction of ethyl hexanoate and ethyl octanoate at temperatures from (293.15 to 473.15) K and pressures from (0.1 to 10) MPa. JOURNAL OF CHEMICAL THERMODYNAMICS, 97 (1). |
| 31. 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). |
| 32. Zhuomin Zhang, Yunjian Ma, Qingtang Wang, An Chen, Zhuoyan Pan, Gongke Li. (2013) Preparation of novel alumina nanowire solid-phase microextraction fiber coating for ultra-selective determination of volatile esters and alcohols from complicated food samples. JOURNAL OF CHROMATOGRAPHY A, 1290 (27). |
| 33. Peng Zhao, Xuhui Xia, Jia Zheng, Zirui Yuan, Yiyao Luo, Huibo Luo, Yi Ma, Danqun Huo, Changjun Hou. (2025) A novel colorimetric and fluorometric dual-signal identification of crude baijiu based on La-CDs. FOOD CHEMISTRY, 464 (141706). |
| 34. Xuhui Xia, Peng Zhao, Jia Zheng, Xuheng Li, Xin Zeng, Dianhui Men, Yiyao Luo, Changjun Hou, Danqun Huo. (2025) A novel quantum dot-based ratiometric fluorescence sensor array: For reducing substances detection and Baijiu quality discrimination. ANALYTICA CHIMICA ACTA, 1347 (343785). |
| 35. Peng Zhao, Xuhui Xia, Yiyao Luo, Zirui Yuan, Jiaxi Deng, Huibo Luo, Xiaogang Luo, Danqun Huo, Changjun Hou. (2024) A porphyrin-modified CoMoO4 nanosensor array for the detection of crude baijiu. Analytical Methods, |
| 36. Zhao He, Du Binghao, Zhao Pengju, Chen Xi, Zhao Jingrong, Wu Qiuhua, Zhu Lining, Ma Huifeng, Sun Baoguo, Min Weihong, Li Xiuting. (2024) Analysis of Ester-Producing Performance in High-Yield Ethyl Hexanoate Yeast and the Effect on Metabolites in Bio- Enhanced Daqu, the starter for Baijiu and other traditional fermented foods. JOURNAL OF APPLIED MICROBIOLOGY, |
| 37. 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, 23 (101568). |
| 38. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song. (2025) Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development. FOOD RESEARCH INTERNATIONAL, 203 (115866). |
| 39. Jiandong Cui, Zhanxin Du, Lixue Zhao, Huihui Li, Zhongjie Wang, Zibei Huo, Yingjie Du, Zhaoming Zhang. (2024) Continuous production of aromatic esters from Chinese liquor yellow water by immobilized lipase in a packed-bed column bioreactor. Journal of Environmental Chemical Engineering, 12 (112887). |
| 40. Yaping Zhang, Yanan Wang, Jing Chen, Lin Peng, Xiaolin Liu, Jia Lin. (2024) Crystallization management and defect passivation via additive engineering for efficient and stable carbon-based CsPbI2Br perovskite solar cells. JOURNAL OF POWER SOURCES, 609 (234702). |
| 41. Xin-He Duan, Hong-Wei Li, Yi Li, Zhijiu Huang, Sha Liu, Yuqing Wu. (2024) Determination of acetaldehyde in Chinese Baijiu based on the light-activated oxidase-mimic activity of fluorine-containing carbon dots (dF-CDs). SENSORS AND ACTUATORS B-CHEMICAL, 419 (136356). |
| 42. Wei Qiu, Hailong Ru, Jilei Wang, Jingming Kuang, Yougui Yu, Qing Zheng. (2025) Odor threshold dynamics during Baijiu aging: Ester–acid interactions. LWT-FOOD SCIENCE AND TECHNOLOGY, 217 (117436). |
| 43. Lian Xia, Jia Zheng, Jian Su, Hongli Yang, Zhengmin Xie, Yue Tang, Yuangen Wu. (2025) Portable paper-based sheet for visual detection of ethyl carbamate in Chinese Baijiu based on aptamer recognition and laccase-like activity of cubic Ag2O nanoparticles. Food Bioscience, 63 (105594). |
| 44. Liuxin Yang, Dandan Wei, Yinghua Tao, Fengya Jing, Tao Liu, Guanhua Jiao, Tianzhu Zhang. (2024) Spatiotemporal delivery of microenvironment responsive hydrogel incorporated with stem cells-loaded porous microspheres for abdominal wall repair. CHEMICAL ENGINEERING JOURNAL, 497 (154435). |
| 45. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen. (2025) The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu. MOLECULES, 30 (4): (933). |
| 46. 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, 64 (105872). |
| 47. Han Baolin, Tian Shulin, Zheng Shenhai, Jiang Yuqi, Bian Minghong. (2024) Uncovering changes in mulberry brandy during artificial aging using flavoromics. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, 250 (7): (1959-1967). |
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