≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488189292 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189292 |
| Canonical Smiles | CC(C)(C#CC1=CC=CC=C1)O |
| IUPAC Name | 2-methyl-4-phenylbut-3-yn-2-ol |
| InChIKey | FUPXYICBZMASCM-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,1-2H3 |
| Isomeric SMILES | CC(C)(C#CC1=CC=CC=C1)O |
| Molecular Weight | 160.22 |
| Beilstein | 6(3)2743 |
| Reaxy-Rn | 2041955 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041955&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Ynones Tertiary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Ynone - Monocyclic benzene moiety - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2315265 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2315266 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316009 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316010 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316111 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316116 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316138 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| B2316139 | Certificate of Analysis | Nov 29, 2022 | M158683 |
| Melt Point(°C) | 54 °C |
|---|---|
| Molecular Weight | 160.210 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 160.089 Da |
| Monoisotopic Mass | 160.089 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 |
