≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504754796 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754796 |
| Canonical Smiles | CCCCCCCC(=O)C1=CC=CC=C1 |
| IUPAC Name | 1-phenyloctan-1-one |
| InChIKey | UDEVCZRUNOLVLU-UHFFFAOYSA-N |
| INCHI | 1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| Isomeric SMILES | CCCCCCCC(=O)C1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 204.31 |
| Beilstein | 1868530 |
| Reaxy-Rn | 1868534 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868534&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 |
|---|---|---|---|
 E2415115 | Certificate of Analysis | Apr 16, 2024 | N159475 |
| E2415118 | Certificate of Analysis | Apr 16, 2024 | N159475 |
| E2415119 | Certificate of Analysis | Apr 16, 2024 | N159475 |
| B2423313 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| B2423314 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| B2423315 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| B2423316 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| B2423317 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| B2423318 | Certificate of Analysis | Jan 13, 2024 | N159475 |
| Solubility | Soluble in hot ethanol, acetone, toluene and other common organic solvents. Insoluble in water. |
|---|---|
| Refractive Index | 1.5 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 290°C(lit.) |
| Melt Point(°C) | 22 °C |
| Molecular Weight | 204.310 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 7 |
| Exact Mass | 204.151 Da |
| Monoisotopic Mass | 204.151 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| 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. 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] |
| 2. 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] |
| 3. 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] |
