Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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T162416-25g
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25g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$21.90
|
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T162416-100g
|
100g |
3
|
$78.90
|
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T162416-500g
|
500g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
|
$96.90
|
|
| Synonyms | 6-tert-Butyl-3-methylphenol | B0718 | NCGC00164216-03 | 6-tert-Butyl-3-cresol | 4-06-00-03400 (Beilstein Handbook Reference) | NCGC00258969-01 | MFCD00002308 | SCHEMBL180815 | 2-t-Butyl-5-methylphenol | BRN 1908225 | NSC48467 | NSC-48467 | BS-17803 | NSC |
|---|---|
| Specifications & Purity | Moligand™, ≥97%(GC) |
| Shipped In | Normal |
| Grade | Moligand™ |
| Action Type | ACTIVATOR |
| Mechanism of action | Activator of TRPV3 |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| 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 |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| 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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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Pubchem Sid | 504751205 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751205 |
| IUPAC Name | 2-tert-butyl-5-methylphenol |
| INCHI | InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3 |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| Smiles | CC1=CC(=C(C=C1)C(C)(C)C)O |
| Isomeric SMILES | CC1=CC(=C(C=C1)C(C)(C)C)O |
| WGK Germany | 2 |
| RTECS | SK1578180 |
| PubChem CID | 6937 |
| UN Number | 1993 |
| Packing Group | I |
| Molecular Weight | 164.25 |
| Beilstein | 6(3)1982 |
| Reaxy-Rn | 1908225 |
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 | Sep 19, 2022 | T162416 |
| Solubility | Insoluble in water; Degree of Solubility in water: 0.42 g/l 25 °C; Soluble in Alcohol,Acetone,Ether |
|---|---|
| Sensitivity | Hygroscopic |
| Refractive Index | 1.52 |
| Flash Point(°F) | 222.8 °F |
| Flash Point(°C) | 106 °C |
| Boil Point(°C) | 244 °C |
| Melt Point(°C) | 21 °C |
| Molecular Weight | 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 |