Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, ≥97%(GC) Moligand™ 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 | 504751205 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751205 |
| Sonrisas canónicas | CC1=CC(=C(C=C1)C(C)(C)C)O |
| IUPAC Name | 2-tert-butyl-5-methylphenol |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| INCHI | 1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3 |
| Isómeros SMILES | CC1=CC(=C(C=C1)C(C)(C)C)O |
| WGK Alemania | 2 |
| RTECS | SK1578180 |
| PubChem CID | 6937 |
| Número ONU | 1993 |
| Grupo de embalaje | I |
| Peso molecular | 164.25 |
| Beilstein | 6(3)1982 |
| Reaxy-Rn | 1908225 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | T162416 | |
| Certificate of Analysis | Sep 24, 2025 | T162416 | |
| Certificate of Analysis | Sep 24, 2025 | T162416 | |
| Certificate of Analysis | Jul 10, 2024 | T162416 | |
| Certificate of Analysis | Jul 10, 2024 | T162416 |
| Solubilidad | Insoluble in water; Degree of Solubility in water: 0.42 g/l 25 °C; Soluble in Alcohol,Acetone,Ether |
|---|---|
| Sensibilidad | Hygroscopic |
| Índice de refracción | 1.52 |
| Punto de inflamación (°F) | 222.8 °F |
| Punto de inflamación (°C) | 106 °C |
| Punto de ebullición (°C) | 244 °C |
| Punto de fusión (°C) | 21 °C |
| Peso molecular | 164.240 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| 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 | 146.000 |
| 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 |
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