≥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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763724 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763724 |
| Canonical Smiles | CCCCC=CC(=O)C |
| IUPAC Name | (E)-oct-3-en-2-one |
| InChIKey | ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| INCHI | 1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+ |
| Isomeric SMILES | CCCC/C=C/C(=O)C |
| UN Number | 1224 |
| Packing Group | III |
| Molecular Weight | 126.19 |
| Reaxy-Rn | 1742230 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742230&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones |
| Direct Parent | Enones |
| Alternative Parents | Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'. |
| External Descriptors | Oxygenated hydrocarbons |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2529579 | Certificate of Analysis | Jun 20, 2025 | O100829 |
| H2529580 | Certificate of Analysis | Jun 20, 2025 | O100829 |
| H2529581 | Certificate of Analysis | Jun 20, 2025 | O100829 |
| H2529582 | Certificate of Analysis | Jun 20, 2025 | O100829 |
| A1815140 | Certificate of Analysis | Jun 16, 2025 | O100829 |
| F23051018 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| F23051019 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| F23051024 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| F23051029 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| F2305977 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| F2305991 | Certificate of Analysis | Mar 03, 2025 | O100829 |
| E2521483 | Certificate of Analysis | Jun 11, 2024 | O100829 |
| E2521484 | Certificate of Analysis | Jun 11, 2024 | O100829 |
| A1815139 | Certificate of Analysis | Jul 19, 2023 | O100829 |
| Refractive Index | 1.447 |
|---|---|
| Flash Point(°F) | 129°F |
| Flash Point(°C) | 54℃ |
| Boil Point(°C) | 78 °C/12 mmHg |
| Molecular Weight | 126.200 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 126.104 Da |
| Monoisotopic Mass | 126.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| 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. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu. (2023) Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea. Foods, 12 (19): (3702). [PMID:37835355] [10.3390/foods12193702] |
| 2. Zhijie Liu, Yiqun Huang, Shanshan Kong, Junjian Miao, Keqiang Lai. (2023) Selection and quantification of volatile indicators for quality deterioration of reheated pork based on simultaneously extracting volatiles and reheating precooked pork. FOOD CHEMISTRY, [PMID:37004364] [10.1016/j.foodchem.2023.135962] |
| 3. Li Jing, Tang Chaohua, Yang Youyou, Hu Ying, Zhao Qingyu, Ma Qing, Yue Xiangpeng, Li Fadi, Zhang Junmin. (2023) Characterization of meat quality traits, fatty acids and volatile compounds in Hu and Tan sheep. Frontiers in Nutrition, [PMID:36866058] [10.3389/fnut.2023.1072159] |
| 4. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang. (2022) Changes in lipids and aroma compounds in intramuscular fat from Hu sheep. FOOD CHEMISTRY, [PMID:35413762] [10.1016/j.foodchem.2022.132611] |
| 5. Longzhu Zhou, Yimeng Ren, Yujie Shi, Shijie Fan, Liyuan Zhao, Miaomiao Dong, Jing Li, Youyou Yang, Yanan Yu, Qingyu Zhao, Junmin Zhang, Chaohua Tang. (2024) Comprehensive foodomics analysis reveals key lipids affect aroma generation in beef. FOOD CHEMISTRY, [PMID:39186890] [10.1016/j.foodchem.2024.140954] |
| 6. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang. (2024) Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef. Heliyon, [PMID:39253161] [10.1016/j.heliyon.2024.e36382] |
| 7. Yang-bo Xiao, Rongji Tian, Ying-ying Shen, Han Tang, Jian-an Huang, Wenliang Wu, Shu-guang Zhang, Xia Yin. (2025) Aroma profiling by HS-SPME/GC-MS of black tea produced from different leaf grades. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2025.118223] |
| 8. Xia Yin, Yang-bo Xiao, Kuo-fei Wang, Rong-ji Tian, Ying-ying Shen, Han Tang, Run-long Wang, Shu-guang Zhang, Zhong-hua Liu. (2025) Integrated metabolomics and transcriptomics unravel the mechanism of shaking in regulating floral-honey aroma quality formation in black tea (Camellia sinensis). INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2025.121733] |
| 9. Liang Dong, Yingmin Hou, Feng Li, Yongzhe Piao, Xiao Zhang, Xiaoyu Zhang, Cheng Li, Changxin Zhao. (2014) Characterization of volatile aroma compounds in different brewing barley cultivars. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 95 (5): (915-921). [PMID:24862930] [10.1002/jsfa.6759] |
