Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CCC(C)(C)C1=CC=CC=C1O |
|---|---|
| IUPAC Name | 2-(2-methylbutan-2-yl)phenol |
| InChIKey | BGRKGHSKCFAPCL-UHFFFAOYSA-N |
| INCHI | 1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3 |
| Isomeric SMILES | CCC(C)(C)C1=CC=CC=C1O |
| PubChem CID | 76769 |
| Molecular Weight | 164.25 |
| Beilstein | 6(4)3383 |
| Reaxy-Rn | 1864028 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Dec 18, 2024 | T162417 | |
| Certificate of Analysis | Dec 18, 2024 | T162417 | |
| Certificate of Analysis | Dec 18, 2024 | T162417 | |
| Certificate of Analysis | Dec 18, 2024 | T162417 | |
| Certificate of Analysis | May 22, 2024 | T162417 |
| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.52 |
| Flash Point(°C) | 111 °C |
| Boil Point(°C) | 92°C/4mmHg(lit.) |
| Molecular Weight | 164.240 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.12 Da |
| Monoisotopic Mass | 164.12 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |