≥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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763656 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763656 |
| Sonrisas canónicas | CCCCCC(=O)OCCC=CCC |
| IUPAC Name | [(Z)-hex-3-enyl] hexanoate |
| InChIKey | RGACQXBDYBCJCY-ALCCZGGFSA-N |
| INCHI | 1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5- |
| Isómeros SMILES | CCCCCC(=O)OCC/C=C\CC |
| WGK Alemania | 2 |
| RTECS | MO8380000 |
| Peso molecular | 198.3 |
| Reaxy-Rn | 27912345 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27912345&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 |
| Clase | 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 |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 F2220169 | Certificate of Analysis | Apr 02, 2026 | H107523 |
| F2220176 | Certificate of Analysis | Apr 02, 2026 | H107523 |
| F2220194 | Certificate of Analysis | Apr 02, 2026 | H107523 |
| L2522151 | Certificate of Analysis | Jan 05, 2026 | H107523 |
| I1517029 | Certificate of Analysis | May 08, 2023 | H107523 |
| G2319529 | Certificate of Analysis | Jun 02, 2022 | H107523 |
| Índice de refracción | 1.473 |
|---|---|
| Punto de inflamación (°F) | 104 °C |
| Punto de inflamación (°C) | 104°C |
| Punto de ebullición (°C) | 115°C |
| Peso molecular | 198.300 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.162 Da |
| Monoisotopic Mass | 198.162 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yujie Xu, Yaqin Liu, Jihong Yang, Hui Wang, Hanchen Zhou, Pandeng Lei. (2023) Manufacturing process differences give Keemun black teas their distinctive aromas. Food Chemistry-X, [PMID:37780253] [10.1016/j.fochx.2023.100865] |
| 2. Yun-Feng Ma, Lang-Lang Gong, Meng-Qi Zhang, Xuan-Zheng Liu, Huan Guo, J. Joe Hull, Gui-Jun Long, Hong Wang, Youssef Dewer, Fan Zhang, Ming He, Peng He. (2023) Two Antenna-Enriched Carboxylesterases Mediate Olfactory Responses and Degradation of Ester Volatiles in the German Cockroach Blattella germanica. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:36920281] [10.1021/acs.jafc.2c08488] |
| 3. Jihong Yang, Hanchen Zhou, Yaqin Liu, Hui Wang, Yujie Xu, Jianqin Huang, Pandeng Lei. (2022) Chemical constituents of green teas processed from albino tea cultivars with white and yellow shoots. Food Chemistry: Molecular Sciences, [PMID:36389341] [10.1016/j.fochms.2022.100143] |
| 4. Hanchen Zhou, Yaqin Liu, Jihong Yang, Hui Wang, Yong Ding, Pandeng Lei. (2022) Comprehensive profiling of volatile components in Taiping Houkui green tea. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2022.113523] |
| 5. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song. (2021) Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34932338] [10.1021/acs.jafc.1c06473] |
| 6. Dandan Qi, Aiqing Miao, Wei Chen, Wenwen Wang, Xiugu He, Chengying Ma. (2021) Characterization of the volatile compounds profile of the innovative broken oolong-black tea in comparison with broken oolong and broken black tea. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2021.108197] |
| 7. Wei Chen, Dandan Qi, Wenwen Wang, Aiqing Miao, Chengying Ma. (2021) GC-MS analysis combined with sensory analysis revealed the various aroma characteristics of black tea resulted from different grafting rootstocks. JOURNAL OF FOOD SCIENCE, 86 (3): (813-823). [PMID:33569782] [10.1111/1750-3841.15612] |
| 8. Zhihui Feng, Ming Li, Yifan Li, Xiaochun Wan, Xiaogen Yang. (2019) Characterization of the orchid-like aroma contributors in selected premium tea leaves. FOOD RESEARCH INTERNATIONAL, [PMID:32036905] [10.1016/j.foodres.2019.108841] |
| 9. Chengying Ma, Junxing Li, Wei Chen, Wenwen Wang, Dandan Qi, Shi Pang, Aiqing Miao. (2018) Study of the aroma formation and transformation during the manufacturing process of oolong tea by solid-phase micro-extraction and gas chromatography–mass spectrometry combined with chemometrics. FOOD RESEARCH INTERNATIONAL, [PMID:29735074] [10.1016/j.foodres.2018.03.052] |
| 10. Chengzhe Zhou, Jiaxin Fang, Shuaibo Shao, Cheng Zhang, Caiyun Tian, Zhengdong Zhang, Anru Zheng, Yuting Li, Siwei Deng, Changlian Wu, Shengjing Wen, Nadang Long, Zhong Wang, Yuqiong Guo. (2026) Decoding volatile compound-aroma attribute correlations in representative Oolong Teas of Fujian: An integrated objective quantification and GC–MS profiling method. FOOD CHEMISTRY, [PMID:41698277] [10.1016/j.foodchem.2026.148424] |
| 11. Muxue Qin, Jingtao Zhou, Junyu Zhu, Bernard Ntezimana, Zehua Sun, Fuwei Guo, Jinjun Zhang, Youyue Zhang, Zhi Yu, Yuqiong Chen, De Zhang, Dejiang Ni. (2026) The Yellow Light Irradiation Promotes the Formation of a Distinct Floral Aroma in Steamed Green Tea. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:41755795] [10.1021/acs.jafc.5c13063] |
