≥95%,Contains stabilizers for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Argon charged,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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
trans-3-Hexenoic acid occurs naturally in strawberry and bamboo leaves volatile oil.
| Pubchem Sid | 528770588 |
|---|---|
| Canonical Smiles | CCC=CCC(=O)O |
| IUPAC Name | (E)-hex-3-enoic acid |
| InChIKey | XXHDAWYDNSXJQM-ONEGZZNKSA-N |
| INCHI | 1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+ |
| Isomeric SMILES | CC/C=C/CC(=O)O |
| WGK Germany | 3 |
| RTECS | MP7730000 |
| UN Number | 3265 |
| Packing Group | III |
| Molecular Weight | 114.14 |
| Beilstein | 2(4)1566 |
| Reaxy-Rn | 1745294 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745294&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 acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
| External Descriptors | Unsaturated fatty acids |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2622115 | Certificate of Analysis | Jul 05, 2025 | H736803 |
| G2502466 | Certificate of Analysis | Jul 05, 2025 | H736803 |
| G2502468 | Certificate of Analysis | Jul 05, 2025 | H736803 |
| G2502469 | Certificate of Analysis | Jul 05, 2025 | H736803 |
| Sensitivity | Air & Light Sensitive |
|---|---|
| Refractive Index | 1.44 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 118-119°C |
| Melt Point(°C) | 11-12°C |
| Molecular Weight | 114.140 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068 Da |
| Monoisotopic Mass | 114.068 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 94.700 |
| 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. Wenwen Yang, Xiaoping Zhang, Jun Zhang, Guoshuan Wang, Hailong Liang, Xinglei Zhang, Konstantin Chingin, Huanwen Chen. (2023) Determination of C═C Positions of Unsaturated Fatty Acids in Foods via Ambient Reactive Desorption Ionization with Water Dimer Radical Cations. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:38131280] [10.1021/acs.jafc.3c05585] |
| 2. Jiangwei Wen, Jiayu Li, Dong Wang, Chao Li, Albert Robbat, Liya Xia. (2023) Identification of geographical origin of winter jujube based on GC–MS coupled with machine-learning algorithms. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105710] |
| 3. Lin Yang, Lulu Liu, Lingbo Ji, Chenxi Jiang, Zhongrong Jiang, Dongliang Li, Zhen Yang, Wen Cai, Quanwei Zhou, Jinshan Lei, Pinhe Li, Yuhong Jia, Jie Liu, Heng Xu, Jun Hu. (2024) Analysis of differences in aroma and sensory characteristics of the mainstream smoke of six cigars. Heliyon, [PMID:38434019] [10.1016/j.heliyon.2024.e26630] |
