≥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.
| Pubchem Sid | 488186854 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186854 |
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)OC |
| IUPAC Name | 1-tert-butyl-4-methoxybenzene |
| InChIKey | MCUPBIBNSTXCPQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)OC |
| WGK Germany | 3 |
| PubChem CID | 94750 |
| Molecular Weight | 164.25 |
| Reaxy-Rn | 2041952 |
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 | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - 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 |
|---|---|---|---|
 I1821066 | Certificate of Analysis | Apr 15, 2026 | T162716 |
| G1803088 | Certificate of Analysis | Feb 05, 2026 | T162716 |
| E2310932 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310934 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310938 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310940 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310941 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310942 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310943 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310947 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| E2310959 | Certificate of Analysis | Dec 19, 2022 | T162716 |
| L2201077 | Certificate of Analysis | Dec 07, 2022 | T162716 |
| Flash Point(°F) | 201°F |
|---|---|
| Flash Point(°C) | 94°C(lit.) |
| Boil Point(°C) | 222°C(lit.) |
| Melt Point(°C) | 18 °C |
| Molecular Weight | 164.240 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.12 Da |
| Monoisotopic Mass | 164.12 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |
