≥99%(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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184156 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184156 |
| Canonical Smiles | CC(C)CC(=O)C1=CC=CC=C1 |
| IUPAC Name | 3-methyl-1-phenylbutan-1-one |
| InChIKey | HEOVGVNITGAUKL-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| Isomeric SMILES | CC(C)CC(=O)C1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 162.23 |
| Reaxy-Rn | 1861344 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861344&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 | Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - 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 |
|---|---|---|---|
 H2209537 | Certificate of Analysis | May 20, 2026 | I157669 |
| H2209538 | Certificate of Analysis | May 20, 2026 | I157669 |
| G2213586 | Certificate of Analysis | Apr 07, 2026 | I157669 |
| C2009043 | Certificate of Analysis | Dec 19, 2023 | I157669 |
| Refractive Index | 1.51 |
|---|---|
| Flash Point(°F) | 210.2 °F |
| Flash Point(°C) | 99°C |
| Boil Point(°C) | 236°C |
| Molecular Weight | 162.230 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| 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 | 143.000 |
| 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. 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] |
