≥96% 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-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.
| Pubchem Sid | 488193063 |
|---|---|
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)C#C |
| IUPAC Name | 1-tert-butyl-4-ethynylbenzene |
| InChIKey | ZSYQVVKVKBVHIL-UHFFFAOYSA-N |
| INCHI | 1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C#C |
| WGK Germany | 3 |
| PubChem CID | 2757302 |
| Molecular Weight | 158.24 |
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 Acetylides Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - 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 |
|---|---|---|---|
 K2222750 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| K2222766 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| K2222773 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| K2222776 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| K2222928 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| K2222930 | Certificate of Analysis | Sep 16, 2025 | T189207 |
| G2501109 | Certificate of Analysis | Jul 15, 2025 | T189207 |
| L2403144 | Certificate of Analysis | Dec 04, 2024 | T189207 |
| G2403627 | Certificate of Analysis | Apr 22, 2024 | T189207 |
| H1823131 | Certificate of Analysis | Mar 08, 2024 | T189207 |
| D2128029 | Certificate of Analysis | Feb 28, 2024 | T189207 |
| D2128028 | Certificate of Analysis | Feb 23, 2024 | T189207 |
| K2222891 | Certificate of Analysis | Nov 04, 2022 | T189207 |
| L2403143 | Certificate of Analysis | Nov 04, 2022 | T189207 |
| Flash Point(°F) | 179.6 °F |
|---|---|
| Flash Point(°C) | 82 °C |
| Boil Point(°C) | 70 °C |
| Molecular Weight | 158.240 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.11 Da |
| Monoisotopic Mass | 158.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
