≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Isobutyrophenone was used as an internal standard in the determination of hydroxyzine hydrochloride and benzyl alcohol in injection solutions. It was also used in the preparation of alpha-hydroxyisobutyrophenone.
| Pubchem Sid | 488184236 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184236 |
| Sonrisas canónicas | CC(C)C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2-methyl-1-phenylpropan-1-one |
| InChIKey | BSMGLVDZZMBWQB-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| Isómeros SMILES | CC(C)C(=O)C1=CC=CC=C1 |
| WGK Alemania | 3 |
| Peso molecular | 148.21 |
| Beilstein | 7316 |
| Reaxy-Rn | 774499 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774499&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 |
| Clase | 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 |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 L2214305 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| L2214306 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| L2214320 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| K2230839 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| K2230844 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| K2230849 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| L2201008 | Certificate of Analysis | Jun 09, 2026 | I134082 |
| K2230591 | Certificate of Analysis | Apr 18, 2025 | I134082 |
| L2214327 | Certificate of Analysis | Feb 17, 2025 | I134082 |
| K2103479 | Certificate of Analysis | Aug 04, 2023 | I134082 |
| K2103475 | Certificate of Analysis | Aug 04, 2023 | I134082 |
| K2103483 | Certificate of Analysis | Aug 04, 2023 | I134082 |
| Solubilidad | Soluble in alcohol. Insoluble in water. |
|---|---|
| Índice de refracción | 1.52 |
| Punto de inflamación (°F) | 183.2 °F |
| Punto de inflamación (°C) | 84°C(lit.) |
| Punto de ebullición (°C) | 215°C |
| Punto de fusión (°C) | 1°C |
| Peso molecular | 148.200 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 148.089 Da |
| Monoisotopic Mass | 148.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing. (2021) Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds. Nature Communications, 12 (1): (1-12). [PMID:34376654] [10.1038/s41467-021-25118-0] |
| 2. Haoran Yuan, Zejie Zhu, Lingyao Wang, Jia Yao, Haoran Li. (2024) A cooperation of ceric ammonium nitrate and N-hydroxyphthalimide in the aerobic oxidation from ketones to lactones/esters: Catalytic characterization and mechanistic investigation. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2024.139973] |
| 3. He Liu, Shixi Wang, Meng Xu, Kaiyue Zhang, Qian Gao, Hualei Wang, Dongzhi Wei. (2024) Engineering an (R)-selective transaminase for asymmetric synthesis of (R)-3-aminobutanol. BIOORGANIC CHEMISTRY, [PMID:38492494] [10.1016/j.bioorg.2024.107264] |
