≥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.
4-tert-Butyl-o-xylene (1,2-dimethyl-4-tert-Butylbenzene, DMTBB) is a dimethylalkylbenzene. It has been synthesized by reacting o-xylene with tert-butyl alcohol over zeolite based catalytic system.
| Pubchem Sid | 488186017 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186017 |
| Canonical Smiles | CC1=C(C=C(C=C1)C(C)(C)C)C |
| IUPAC Name | 4-tert-butyl-1,2-dimethylbenzene |
| InChIKey | QRPPSTNABSMSCS-UHFFFAOYSA-N |
| INCHI | 1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)C(C)(C)C)C |
| WGK Germany | 3 |
| PubChem CID | 81881 |
| Molecular Weight | 162.28 |
| Reaxy-Rn | 1925371 |
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 | o-Xylenes Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - O-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 |
|---|---|---|---|
 E2628599 | Certificate of Analysis | Apr 27, 2026 | T161924 |
| L2522623 | Certificate of Analysis | Dec 11, 2025 | T161924 |
| L2522624 | Certificate of Analysis | Dec 11, 2025 | T161924 |
| C2023207 | Certificate of Analysis | Jan 23, 2024 | T161924 |
| Refractive Index | 1.5 |
|---|---|
| Flash Point(°F) | 179.6 °F |
| Flash Point(°C) | 82°C(lit.) |
| Boil Point(°C) | 211°C(lit.) |
| 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 | 141.000 |
| 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 |
