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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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T161487-5g
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5g |
3
|
$30.90
|
|
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T161487-25g
|
25g |
3
|
$136.90
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|
| Synonyms | 2-Ethylacrylic aldehyde | UNII-7A4R3CQA2T | beta-Aethyl-acrolein | CHEBI:156100 | 2-TRANS-PENTENAL | Pentenal, (E)- | .GAMMA.-METHYLCROTONALDEHYDE | GTPL2417 | A809867 | Caswell No. 573O | ?trans-2-Pentenal | BDBM50203069 | InChI=1/C5H8O/c1-2-3-4-5-6/h3-5 |
|---|---|
| Specifications & Purity | Moligand™, ≥95%(GC) |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Action Type | ACTIVATOR |
| Mechanism of action | Activator of TRPA1 |
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 aldehydes |
| Direct Parent | Enals |
| Alternative Parents | Short-chain aldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enal - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aldehyde - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 504763740 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763740 |
| IUPAC Name | (E)-pent-2-enal |
| INCHI | InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+ |
| InChIKey | DTCCTIQRPGSLPT-ONEGZZNKSA-N |
| Smiles | CCC=CC=O |
| Isomeric SMILES | CC/C=C/C=O |
| WGK Germany | 3 |
| RTECS | SB1560000 |
| PubChem CID | 5364752 |
| Molecular Weight | 84.12 |
| Beilstein | 1719740 |
| Reaxy-Rn | 1719742 |
| Sensitivity | Light Sensitive,Air Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.44 |
| Flash Point(°F) | 71.6 °F |
| Flash Point(°C) | 22 °C |
| Boil Point(°C) | 81 °C/160 mmHg |
| Molecular Weight | 84.120 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 84.0575 Da |
| Monoisotopic Mass | 84.0575 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 55.000 |
| 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. Yangyang Zhou, Chen Chen, Qiling Li, Yanbo Liu, Ting Wei, Youzhen Liu, Zebing Zeng, Darren Bradshaw, Bing Zhang, Jia Huo. (2022) Precise control of selective hydrogenation of α,β-unsaturated aldehydes in water mediated by ammonia borane. APPLIED CATALYSIS B-ENVIRONMENTAL, 311 (121348). |
| 2. Yanxin Li, Chong Ma, Jinmao You, Shijuan Zhang. (2022) Stable isotope labeling method with sensitive identification and accurate quantitation function for aldehydes in fried foods. MICROCHEMICAL JOURNAL, 176 (107238). |
| 3. Yuanyuan Huang, Yu Sun, Arshad Mehmood, Tingting Lu, Xiumin Chen. (2024) Unraveling the temporal changes of Maillard reaction products and aroma profile in coffee leaves during hot-air drying. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 128 (106055). |