≥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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181705 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181705 |
| Canonical Smiles | CC(C)C1=CC=C(C=C1)C(=O)C |
| IUPAC Name | 1-(4-propan-2-ylphenyl)ethanone |
| InChIKey | PDLCCNYKIIUWHA-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,1-3H3 |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)C(=O)C |
| Molecular Weight | 162.23 |
| Beilstein | 2205694 |
| Reaxy-Rn | 2205694 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205694&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 | Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Acetophenone - 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 |
|---|---|---|---|
 E2113212 | Certificate of Analysis | Feb 07, 2025 | I121833 |
| E2113213 | Certificate of Analysis | Feb 07, 2025 | I121833 |
| A2619092 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331641 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331642 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331643 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331662 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331663 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| H2331664 | Certificate of Analysis | Sep 08, 2023 | I121833 |
| J1825031 | Certificate of Analysis | Aug 12, 2022 | I121833 |
| Solubility | Soluble in alcohol. Insoluble in water. |
|---|---|
| Refractive Index | 1.523 |
| Flash Point(°C) | 102 °C |
| Boil Point(°C) | 238°C |
| Molecular Weight | 162.230 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.104 Da |
| Monoisotopic Mass | 162.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 152.000 |
| 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 |
| 1. Shuibo Wang, Chunzheng Wu, Hongbo Yu, Yuting Chu, Shiwei Wang, Tong Li, Hongfeng Yin. (2022) Tuning the catalytic performance of Pt/SiO2 catalysts by CoOx modification for selective hydrogenations of unsaturated carbonyl compounds. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2022.154867] |
| 2. Shuibo Wang, Biao Wu, Qiuju Zhang, Yiming Li, Lin Zhu, Hongbo Yu, Hongfeng Yin. (2024) Design of Pt@Sn core–shell nanocatalysts for highly selective hydrogenation of cinnamaldehyde to prepare cinnamyl alcohol. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.151019] |
| 3. Bin Chen, Jun Hu, Zhihao Yu, Lin Zhu, Chunzheng Wu, Hongbo Yu. (2025) Improving the Activity and Selectivity of Ir/SiO2 for the Selective Hydrogenation of Unsaturated Carbonyl Compounds by SnO2 Promotion. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.4c04318] |
| 4. Yifan Zhang, Jiaying Liu, Shiwei Wang, Zhihao Yu, Haojian Zhang, Dong Wang, Lin Zhu, Chunzheng Wu, Hongbo Yu. (2025) Enhanced Selective Hydrogenation of Acetophenone over KIT-6 Supported Pd-MO x (M = Fe, Co, Ni) Hybrid Nanostructures. Catalysis Science & Technology, [PMID:] [10.1039/D5CY01108F] |
