≥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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)C2CCC(=O)CC2 |
|---|---|
| IUPAC Name | 4-(4-methylphenyl)cyclohexan-1-one |
| InChIKey | XDHMORMQXOUOHT-UHFFFAOYSA-N |
| INCHI | 1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2CCC(=O)CC2 |
| PubChem CID | 14549255 |
| Molecular Weight | 188.27 |
| Reaxy-Rn | 2259489 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 51 °C |
| Molecular Weight | 188.260 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 188.12 Da |
| Monoisotopic Mass | 188.12 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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. Kai Li, Dongyang He, Hailang Liu, Zhuangzhi Wu, Dezhi Wang. (2022) In situ phase interface engineering of MoLa alloys for enhanced strength. INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, [PMID:] [10.1016/j.ijrmhm.2022.106050] |
| 2. Bowen Lu, Yongqing Xu, Zewu Zhang, Fan Wu, Xiaoshan Li, Cong Luo, Liqi Zhang. (2021) CO2 hydrogenation on CeO2@Cu catalyst synthesized via a solution auto-combustion method. Journal of CO2 Utilization, [PMID:] [10.1016/j.jcou.2021.101757] |
| 3. Zhu Mengting, Tonni Agustiono Kurniawan, Ram Avtar, Mohd Hafiz Dzarfan Othman, Tong Ouyang, Huang Yujia, Zhang Xueting, Tjandra Setiadi, Iswanto Iswanto. (2020) Applicability of TiO2(B) nanosheets@hydrochar composites for adsorption of tetracycline (TC) from contaminated water. JOURNAL OF HAZARDOUS MATERIALS, [PMID:33288338] [10.1016/j.jhazmat.2020.123999] |
| 4. Jinqiang Wang, Wenzheng Yu, Nigel J.D. Graham, Lei Jiang. (2019) Evaluation of a novel polyamide-polyethylenimine nanofiltration membrane for wastewater treatment: Removal of Cu2+ ions. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2019.123769] |
| 5. Guangfei Liu, Jiaqi Zhu, Ruofei Jin, Jiti Zhou, Zhanming Gao, Jing Wang. (2019) Accelerating effects of humin on sulfide-mediated azo dye reduction. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:30889399] [10.1016/j.ecoenv.2019.03.047] |
