≥98% 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.
1,4-di-tert-butylbenzene (DTBB) is crystallized from several organic solvents to study the effect of solvents and crystallization conditions on its habit.
| Pubchem Sid | 504752506 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752506 |
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)C(C)(C)C |
| IUPAC Name | 1,4-ditert-butylbenzene |
| InChIKey | OOWNNCMFKFBNOF-UHFFFAOYSA-N |
| INCHI | 1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C(C)(C)C |
| WGK Germany | 3 |
| RTECS | CY8444000 |
| Molecular Weight | 190.33 |
| Beilstein | 1617000 |
| Reaxy-Rn | 1617000 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1617000&ln= |
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 | Aromatic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - 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 |
|---|---|---|---|
 L1810161 | Certificate of Analysis | Jun 11, 2026 | D155037 |
| L1810160 | Certificate of Analysis | Jun 11, 2026 | D155037 |
| D2617005 | Certificate of Analysis | Apr 25, 2026 | D155037 |
| C2617193 | Certificate of Analysis | Mar 30, 2026 | D155037 |
| B2222195 | Certificate of Analysis | Dec 10, 2025 | D155037 |
| L2209462 | Certificate of Analysis | Dec 17, 2022 | D155037 |
| F2328190 | Certificate of Analysis | Sep 20, 2022 | D155037 |
| F2328197 | Certificate of Analysis | Sep 20, 2022 | D155037 |
| Boil Point(°C) | 236 °C |
|---|---|
| Melt Point(°C) | 76-78°C |
| Molecular Weight | 190.320 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.172 Da |
| Monoisotopic Mass | 190.172 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
