≥95%(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 | 504759431 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759431 |
| Canonical Smiles | CCC(=O)C1=CC=C(C=C1)C(C)(C)C |
| IUPAC Name | 1-(4-tert-butylphenyl)propan-1-one |
| InChIKey | AQNYEAINONORRY-UHFFFAOYSA-N |
| INCHI | 1S/C13H18O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3 |
| Isomeric SMILES | CCC(=O)C1=CC=C(C=C1)C(C)(C)C |
| Molecular Weight | 190.29 |
| Beilstein | 7(4)789 |
| Reaxy-Rn | 2575331 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575331&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| 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 |
|---|---|---|---|
 K1816002 | Certificate of Analysis | Jan 26, 2026 | B136722 |
| K1816001 | Certificate of Analysis | Jan 26, 2026 | B136722 |
| D2502172 | Certificate of Analysis | Jul 04, 2024 | B136722 |
| D2502351 | Certificate of Analysis | Jul 04, 2024 | B136722 |
| E2327472 | Certificate of Analysis | Jul 19, 2022 | B136722 |
| Refractive Index | 1.52 |
|---|---|
| Boil Point(°C) | 162 °C/5 mmHg |
| Molecular Weight | 190.280 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 190.136 Da |
| Monoisotopic Mass | 190.136 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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 |
