≥98%(GC) 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.
product description：
1-tert-Butyl-3,5-dimethylbenzene participates in the cascade diarylation of N-phenylacetamides with non-prefunctionalized arenes.
application：
1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.
| Pubchem Sid | 504751323 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751323 |
| Canonical Smiles | CC1=CC(=CC(=C1)C(C)(C)C)C |
| IUPAC Name | 1-tert-butyl-3,5-dimethylbenzene |
| InChIKey | FZSPYHREEHYLCB-UHFFFAOYSA-N |
| INCHI | 1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C |
| WGK Germany | 3 |
| RTECS | ZE3900000 |
| PubChem CID | 7378 |
| Molecular Weight | 162.28 |
| Beilstein | 1853310 |
| Reaxy-Rn | 1853314 |
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 | m-Xylenes Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - M-xylene - Xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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 |
|---|---|---|---|
 H2205489 | Certificate of Analysis | May 18, 2026 | T161926 |
| H2205490 | Certificate of Analysis | May 18, 2026 | T161926 |
| H2205491 | Certificate of Analysis | May 18, 2026 | T161926 |
| L2106725 | Certificate of Analysis | Sep 09, 2025 | T161926 |
| L2106732 | Certificate of Analysis | Sep 09, 2025 | T161926 |
| L2106734 | Certificate of Analysis | Sep 09, 2025 | T161926 |
| L2106761 | Certificate of Analysis | Sep 09, 2025 | T161926 |
| B2108156 | Certificate of Analysis | Dec 11, 2024 | T161926 |
| B2108157 | Certificate of Analysis | Dec 11, 2024 | T161926 |
| B2108158 | Certificate of Analysis | Dec 11, 2024 | T161926 |
| D1912072 | Certificate of Analysis | Feb 06, 2023 | T161926 |
| K2519121 | Certificate of Analysis | Jun 14, 2022 | T161926 |
| Refractive Index | 1.4940 to 1.4980 |
|---|---|
| Flash Point(°F) | 154.4 °F |
| Flash Point(°C) | 72°C |
| Boil Point(°C) | 202°C |
| Melt Point(°C) | -22℃ |
| Molecular Weight | 162.270 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 162.141 Da |
| Monoisotopic Mass | 162.141 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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 |
