≥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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754036 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754036 |
| Canonical Smiles | CCCCC(=O)C1=CC=CC=C1 |
| IUPAC Name | 1-phenylpentan-1-one |
| InChIKey | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| Isomeric SMILES | CCCCC(=O)C1=CC=CC=C1 |
| WGK Germany | 3 |
| PubChem CID | 66093 |
| Molecular Weight | 162.23 |
| Beilstein | 1907717 |
| Reaxy-Rn | 1907717 |
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 | aromatic ketone |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2124190 | Certificate of Analysis | Jul 10, 2025 | V107009 |
| I2124207 | Certificate of Analysis | Jul 10, 2025 | V107009 |
| I2124208 | Certificate of Analysis | Jul 10, 2025 | V107009 |
| G2405292 | Certificate of Analysis | Apr 25, 2024 | V107009 |
| G2405293 | Certificate of Analysis | Apr 25, 2024 | V107009 |
| G2405294 | Certificate of Analysis | Apr 25, 2024 | V107009 |
| G2405295 | Certificate of Analysis | Apr 25, 2024 | V107009 |
| E2607058 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| H2328828 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| H2328829 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| H2328831 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| H2328832 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| H2328834 | Certificate of Analysis | Aug 10, 2023 | V107009 |
| I1509062 | Certificate of Analysis | May 06, 2023 | V107009 |
| A2331362 | Certificate of Analysis | Apr 23, 2021 | V107009 |
| Solubility | Insoluble in water. |
|---|---|
| Refractive Index | 1.5143 |
| Flash Point(°F) | 215.6 °F |
| Flash Point(°C) | 102 °C |
| Boil Point(°C) | 244-245°C |
| Melt Point(°C) | -9°C |
| Molecular Weight | 162.230 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| 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 | 134.000 |
| 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. Haoyu Long, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang. (2023) Chromatographic separation performance of silica microspheres surface-modified with triazine-containing imine-linked covalent organic frameworks. TALANTA, [PMID:37126925] [10.1016/j.talanta.2023.124589] |
| 2. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang. (2022) Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2022.107933] |
| 3. Yuan Xiao, Jialiang Guo, Danni Ran, Qianqian Duan, Jacques Crommen, Zhengjin Jiang. (2015) One-pot preparation of a sulfamethoxazole functionalized affinity monolithic column for selective isolation and purification of trypsin. JOURNAL OF CHROMATOGRAPHY A, [PMID:25980695] [10.1016/j.chroma.2015.04.046] |
| 4. Qianqian Duan, Chusheng Liu, Zhenghua Liu, Zhengyin Zhou, Weijia Chen, Qiqin Wang, Jacques Crommen, Zhengjin Jiang. (2014) Preparation and evaluation of a novel monolithic column containing double octadecyl chains for reverse-phase micro high performance liquid chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:24786656] [10.1016/j.chroma.2014.04.036] |
| 5. Li Han, Cui Yuanyuan, Zhen Changqing, Lin Xiaohui, Li Ke, Yang Chengxiong. (2025) Modification of Microporous Organic Network with Amino Acid for HILIC/RPLC Mixed-Mode High-Performance Liquid Chromatography. Journal of Analysis and Testing, [PMID:] [10.1007/s41664-025-00362-1] |
| 6. Kun Peng, Qiqin Wang, Weijia Chen, Donghai Xia, Zhengyin Zhou, Yuqiang Wang, Zhengjin Jiang, Fuhai Wu. (2016) Phosphatidic acid-functionalized monolithic stationary phase for reversed-phase/cation-exchange mixed mode chromatography. RSC Advances, 6 (103): (100891-100898). [PMID:] [10.1039/C6RA21504A] |
