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| Synonyms | 3-Methyl-butin-(1)-ol-(3) [German] | 3-methyl-3-hydroxy-1-butyne | Q209427 | 2-methylbutan-3-yn-2-ol | 3-methyl-1-butin-3-ol | EC 204-070-5 | EN300-60208 | InChI=1/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H | 2-Methyl-3-butyn-2-ol, purum, >=99.0% (GC) |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Product Description |
2-Methyl-3-butyn-2-ol (MBY) is used as a precursor in the Mannich reaction and can undergo selective semihydrogenation to produce fine chemicals.
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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 | Ynones |
| Alternative Parents | Tertiary alcohols Acetylides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ynone - Tertiary alcohol - Acetylide - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H). |
| External Descriptors | Not available |
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| Pubchem Sid | 488180739 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180739 |
| IUPAC Name | 2-methylbut-3-yn-2-ol |
| INCHI | InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3 |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| Smiles | CC(C)(C#C)O |
| Isomeric SMILES | CC(C)(C#C)O |
| WGK Germany | 1 |
| RTECS | ES0810000 |
| UN Number | 1987 |
| Packing Group | I |
| Molecular Weight | 84.12 |
| Beilstein | 635746 |
| Reaxy-Rn | 635746 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635746&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 10, 2025 | M107736 | |
| Certificate of Analysis | May 30, 2025 | M107736 | |
| Certificate of Analysis | May 30, 2025 | M107736 | |
| Certificate of Analysis | May 30, 2025 | M107736 | |
| Certificate of Analysis | Apr 18, 2025 | M107736 | |
| Certificate of Analysis | Jan 06, 2025 | M107736 | |
| Certificate of Analysis | Jan 06, 2025 | M107736 | |
| Certificate of Analysis | Dec 10, 2024 | M107736 | |
| Certificate of Analysis | Nov 30, 2024 | M107736 | |
| Certificate of Analysis | Nov 30, 2024 | M107736 | |
| Certificate of Analysis | Nov 30, 2024 | M107736 | |
| Certificate of Analysis | Nov 30, 2024 | M107736 | |
| Certificate of Analysis | Nov 30, 2024 | M107736 | |
| Certificate of Analysis | May 31, 2024 | M107736 | |
| Certificate of Analysis | May 31, 2024 | M107736 | |
| Certificate of Analysis | May 31, 2024 | M107736 | |
| Certificate of Analysis | May 31, 2024 | M107736 | |
| Certificate of Analysis | May 31, 2024 | M107736 | |
| Certificate of Analysis | Mar 13, 2024 | M107736 | |
| Certificate of Analysis | Mar 13, 2024 | M107736 | |
| Certificate of Analysis | Mar 13, 2024 | M107736 | |
| Certificate of Analysis | Dec 15, 2023 | M107736 | |
| Certificate of Analysis | Dec 15, 2023 | M107736 | |
| Certificate of Analysis | Dec 15, 2023 | M107736 | |
| Certificate of Analysis | Sep 28, 2023 | M107736 | |
| Certificate of Analysis | Sep 15, 2023 | M107736 | |
| Certificate of Analysis | Sep 13, 2023 | M107736 | |
| Certificate of Analysis | Feb 22, 2023 | M107736 | |
| Certificate of Analysis | Feb 22, 2023 | M107736 | |
| Certificate of Analysis | Feb 22, 2023 | M107736 | |
| Certificate of Analysis | Dec 13, 2022 | M107736 | |
| Certificate of Analysis | Dec 13, 2022 | M107736 | |
| Certificate of Analysis | Dec 13, 2022 | M107736 | |
| Certificate of Analysis | Aug 06, 2022 | M107736 | |
| Certificate of Analysis | Aug 06, 2022 | M107736 | |
| Certificate of Analysis | Jul 19, 2022 | M107736 | |
| Certificate of Analysis | Feb 28, 2022 | M107736 | |
| Certificate of Analysis | Feb 28, 2022 | M107736 | |
| Certificate of Analysis | Feb 28, 2022 | M107736 | |
| Certificate of Analysis | Feb 17, 2022 | M107736 |
| Solubility | Fully miscible. |
|---|---|
| Refractive Index | 1.42 |
| Flash Point(°F) | 68 °F |
| Flash Point(°C) | 22 °C |
| Boil Point(°C) | 104°C |
| Melt Point(°C) | 2.6°C |
| Molecular Weight | 84.120 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 84.0575 Da |
| Monoisotopic Mass | 84.0575 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 83.400 |
| 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 |
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