≥97% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488195470 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195470 |
| Canonical Smiles | CCC=CCCOC(=O)CC(C)C |
| IUPAC Name | [(Z)-hex-3-enyl] 3-methylbutanoate |
| InChIKey | AIQLNKITFBJPFO-WAYWQWQTSA-N |
| INCHI | 1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5- |
| Isomeric SMILES | CC/C=C\CCOC(=O)CC(C)C |
| WGK Germany | 2 |
| RTECS | NY1505000 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 184.28 |
| Reaxy-Rn | 30173968 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30173968&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 | Wax monoesters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2206214 | Certificate of Analysis | Apr 03, 2026 | H117498 |
| G2206215 | Certificate of Analysis | Apr 03, 2026 | H117498 |
| G2206216 | Certificate of Analysis | Apr 03, 2026 | H117498 |
| G2206217 | Certificate of Analysis | Apr 03, 2026 | H117498 |
| E2025097 | Certificate of Analysis | Mar 13, 2024 | H117498 |
| H1518067 | Certificate of Analysis | Apr 13, 2023 | H117498 |
| D2314527 | Certificate of Analysis | Jun 09, 2022 | H117498 |
| D2314530 | Certificate of Analysis | Jun 09, 2022 | H117498 |
| D2314536 | Certificate of Analysis | Jun 09, 2022 | H117498 |
| Refractive Index | 1.432 |
|---|---|
| Flash Point(°C) | 60 °C |
| Boil Point(°C) | 98°C |
| Molecular Weight | 184.270 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 184.146 Da |
| Monoisotopic Mass | 184.146 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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. Chang He, Jingtao Zhou, Yuchuan Li, De zhang, Bernard Ntezimana, Junyu Zhu, Xiaoyong Wang, Wenluan Xu, Xiaoju Wen, Yuqiong Chen, Zhi Yu, Yu Wang, Dejiang Ni. (2023) The aroma characteristics of oolong tea are jointly determined by processing mode and tea cultivars. Food Chemistry-X, [PMID:37397208] [10.1016/j.fochx.2023.100730] |
| 2. Jinjia Liu, Min Chen, Weihua Ma, Lifang Zheng, Bing Zhang, Huiting Zhao, Yusuo Jiang. (2023) Composition of Strawberry Flower Volatiles and Their Effects on Behavior of Strawberry Pollinators, Bombus terrestris and Apis mellifera. Agronomy-Basel, 13 (2): (339). [PMID:] [10.3390/agronomy13020339] |
| 3. 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] |
| 4. 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] |
| 5. Yan Zhao, Chen-Yang Shao, Han Yan, Yue Zhang, Qun-Hua Peng, Zhi Lin, Xiao-Ting Zhai, Hai-Peng Lv, Yin Zhu. (2026) Unraveling the aromatic essence of baked green tea using sensomics: insights from three representative cultivars. FOOD CHEMISTRY, [PMID:41544474] [10.1016/j.foodchem.2026.147878] |
