| Canonical Smiles | CC1=CC=C(C=C1)C(=O)C |
|---|---|
| IUPAC Name | 1-(4-methylphenyl)ethanone |
| InChIKey | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C(=O)C |
| WGK Germany | 1 |
| RTECS | AM9463000 |
| Alternate CAS | 122-00-9 |
| NSC Number | 9401 |
| MeSH Entry Terms | p-methylacetophenone |
| Molecular Weight | 134.18 |
| Beilstein | 606053 |
| Reaxy-Rn | 606053 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606053&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 | Acetophenones Benzoyl derivatives Aryl alkyl ketones Toluenes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Toluene - 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 |
|---|---|---|---|
 E2622156 | Certificate of Analysis | May 25, 2026 | M140798 |
| E2607078 | Certificate of Analysis | May 11, 2026 | M140798 |
| C2606097 | Certificate of Analysis | Mar 13, 2026 | M140798 |
| D2523041 | Certificate of Analysis | Apr 29, 2025 | M140798 |
| G2116003 | Certificate of Analysis | Mar 24, 2025 | M140798 |
| K1503028 | Certificate of Analysis | Jul 31, 2023 | M140798 |
| D23141090 | Certificate of Analysis | Apr 20, 2023 | M140798 |
| Refractive Index | 1.533 |
|---|---|
| Flash Point(°F) | 179.6 °F |
| Flash Point(°C) | 82 °C |
| Boil Point(°C) | 226 °C |
| Melt Point(°C) | 22-24°C |
| Molecular Weight | 134.170 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 134.073 Da |
| Monoisotopic Mass | 134.073 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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. Huiqing Luo, Na Li, Liyan Liu, Huaqiao Wang, Feng He. (2021) Synthesis of New AIEE-Active Chalcones for Imaging of Mitochondria in Living Cells and Zebrafish In Vivo. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 22 (16): (8949). [PMID:34445653] [10.3390/ijms22168949] |
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| 6. 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] |
| 7. 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] |
| 8. Mingtao Li, Jie Liu, Shunan Chen, Jun Yao, Lei Shi, Hang Chen, Xiaoming Chen. (2024) VOC Characterization of Byasa hedistus (Lepidoptera: Papilionidae) and Its Visual and Olfactory Responses during Foraging and Courtship. Insects, 15 (7): (548). [PMID:39057280] [10.3390/insects15070548] |
| 9. Chuanhui Li, Ye Meng, Song Yang, Hu Li. (2021) ZIF-67 Derived Co/NC Nanoparticles Enable Catalytic Leuckart-type Reductive Amination of Bio-based Carbonyls to N-Formyl Compounds. ChemCatChem, 13 (24): (5166-5177). [PMID:] [10.1002/cctc.202100977] |
| 10. 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] |
