≥99% 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 | 488188669 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188669 |
| Canonical Smiles | CC(C)(C)CC(C)(C)C1=C(C=C(C=C1)O)O |
| IUPAC Name | 4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol |
| InChIKey | YQOJNENEFSZINP-UHFFFAOYSA-N |
| INCHI | 1S/C14H22O2/c1-13(2,3)9-14(4,5)11-7-6-10(15)8-12(11)16/h6-8,15-16H,9H2,1-5H3 |
| Isomeric SMILES | CC(C)(C)CC(C)(C)C1=C(C=C(C=C1)O)O |
| PubChem CID | 220749 |
| Molecular Weight | 222.33 |
| Reaxy-Rn | 1966857 |
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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Resorcinol - 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 |
|---|---|---|---|
 F2308189 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308190 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308191 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308196 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308204 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308207 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308244 | Certificate of Analysis | May 08, 2023 | T162483 |
| F2308245 | Certificate of Analysis | May 08, 2023 | T162483 |
| Melt Point(°C) | 110 °C |
|---|---|
| Molecular Weight | 222.320 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.162 Da |
| Monoisotopic Mass | 222.162 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
