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Basic Description
| Synonyms | EINECS 213-107-4 | M2052 | Methyl 3-methylbut-2-enoate # | methyl-3,3-dimethyl acrylate | SCHEMBL273328 | BCP10333 | Methyl 3,3-dimethacrylate | METHYL-3,3-DIMETHYLACRYLATE | EC 213-107-4 | Methyl 3-methylcrotonate | F11280 | InChI=1/C6H10O2/c1-5(2)4-6(7) |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
Methyl 3-methyl-2-butenoate is an α,β-unsaturated ester. It is reported as overripe fruity, ethereal odorant, responsible for the aroma of snake fruit. Rate coefficients for the reaction between the NO3 radical and methyl 3-methyl-2-butenoate has been evaluated. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 | Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl 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 | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488181863 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181863 |
| IUPAC Name | methyl 3-methylbut-2-enoate |
| INCHI | InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3 |
| InChIKey | FZIBCCGGICGWBP-UHFFFAOYSA-N |
| Smiles | CC(=CC(=O)OC)C |
| Isomeric SMILES | CC(=CC(=O)OC)C |
| WGK Germany | 1 |
| UN Number | 3272 |
| Molecular Weight | 114.14 |
| Beilstein | 1741592 |
| Reaxy-Rn | 1098538 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098538&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2103044 |
Certificate of Analysis | Jun 10, 2025 | M102001 |
| L2103045 |
Certificate of Analysis | Jun 10, 2025 | M102001 |
| L2103051 |
Certificate of Analysis | Jun 10, 2025 | M102001 |
| L2103052 |
Certificate of Analysis | Jun 10, 2025 | M102001 |
| D2318112 |
Certificate of Analysis | Jan 07, 2025 | M102001 |
| D2318132 |
Certificate of Analysis | Jan 07, 2025 | M102001 |
| G2403284 |
Certificate of Analysis | May 24, 2024 | M102001 |
| G2403285 |
Certificate of Analysis | May 24, 2024 | M102001 |
| G2403286 |
Certificate of Analysis | May 24, 2024 | M102001 |
| G2403311 |
Certificate of Analysis | May 24, 2024 | M102001 |
| G2216368 |
Certificate of Analysis | Apr 07, 2024 | M102001 |
| G2216369 |
Certificate of Analysis | Apr 07, 2024 | M102001 |
| G2216370 |
Certificate of Analysis | Apr 07, 2024 | M102001 |
| K1724033 |
Certificate of Analysis | Jun 06, 2023 | M102001 |
| G2123162 |
Certificate of Analysis | Apr 18, 2023 | M102001 |
| G2123161 |
Certificate of Analysis | Apr 18, 2023 | M102001 |
| C1223027 |
Certificate of Analysis | Jan 26, 2023 | M102001 |
| G2216371 |
Certificate of Analysis | Jun 09, 2022 | M102001 |
| G1816106 |
Certificate of Analysis | Mar 25, 2022 | M102001 |
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Chemical and Physical Properties
| Solubility | Soluble in chloroform. Insoluble in water |
|---|---|
| Sensitivity | Light sensitive |
| Refractive Index | 1.4364 |
| Flash Point(°F) | 98.6 °F |
| Flash Point(°C) | 37 °C |
| Boil Point(°C) | 70-75°C |
| Melt Point(°C) | -41°C |
| Molecular Weight | 114.140 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 114.068 Da |
| Monoisotopic Mass | 114.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Zelin Chen, Bowen Li, Xin Xie, Fang Zeng, Shuizhu Wu. (2018) A sequential enzyme-activated and light-triggered pro-prodrug nanosystem for cancer detection and therapy. Journal of Materials Chemistry B, 6 (17): (2547-2556). |
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