Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated,Cool 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488188698 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188698 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2 |
| IUPAC Name | 2-phenoxy-1-phenylethanone |
| InChIKey | KRSXGTAVHIDVPM-UHFFFAOYSA-N |
| INCHI | 1S/C14H12O2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2 |
| PubChem CID | 222171 |
| Molecular Weight | 212.25 |
| Reaxy-Rn | 1873445 |
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 | Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - 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 | 2-aryloxyketone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 04, 2026 | P160295 | |
| Certificate of Analysis | Jun 04, 2026 | P160295 | |
| Certificate of Analysis | Jun 04, 2026 | P160295 | |
| Certificate of Analysis | Jun 04, 2026 | P160295 | |
| Certificate of Analysis | Jan 14, 2026 | P160295 | |
| Certificate of Analysis | Jan 14, 2026 | P160295 | |
| Certificate of Analysis | Jan 14, 2026 | P160295 | |
| Certificate of Analysis | Jan 14, 2026 | P160295 | |
| Certificate of Analysis | Jun 06, 2025 | P160295 | |
| Certificate of Analysis | Jun 06, 2025 | P160295 | |
| Certificate of Analysis | Jun 06, 2025 | P160295 | |
| Certificate of Analysis | Jun 06, 2025 | P160295 | |
| Certificate of Analysis | Jun 06, 2025 | P160295 | |
| Certificate of Analysis | Jul 04, 2024 | P160295 | |
| Certificate of Analysis | Jul 04, 2024 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 05, 2022 | P160295 | |
| Certificate of Analysis | Aug 10, 2021 | P160295 |
| Boil Point(°C) | 178 °C/4 mmHg |
|---|---|
| Melt Point(°C) | 71.0-75.0℃ |
| Molecular Weight | 212.240 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 212.084 Da |
| Monoisotopic Mass | 212.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 213.000 |
| 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. Xinyuan Xu, Jinqiang Zhang, Hong Wu, Lei Shi, Jie Zhang, Kuan Ding, Shu Zhang, Shuaijun Wang, Shaobin Wang, Hongqi Sun. (2023) Effect of the Proton Transfer Pathway on Selective Photoreforming of Lignin Models for Target Products Enabled by Sulfur Vacancy Engineering on Chalcogenide Nanosheets. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.3c00827] |
| 2. Gao Die, Zhu Qingqing, Liu Peng, Zhou Qing, Cheng Xiujie, Liu Li, Xu Junli, Lu Xingmei. (2023) Efficient Pretreatment of Corn Straw with Ionic Liquid Composite System. Journal of Inorganic and Organometallic Polymers and Materials, 33 (7): (2000-2012). [PMID:] [10.1007/s10904-023-02623-x] |
| 3. Jun Deng, Chi Zhou, Yue Yang, Bing Nan, Lin Dong, Lingchao Cai, Lina Li, Zhu-Jun Wang, Xiaofei Yang, Zupeng Chen. (2023) Visible-light-driven selective cleavage of CC bonds in lignin model substrates using carbon nitride-supported ruthenium single-atom catalyst. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.142282] |
| 4. 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] |
| 5. Feng Chen, Xuebin Lin, Wei Chen, Na Wen, Yanqiao Jin. (2024) Double core–shell hollow nanocage CuO@Co3O4 for the selective hydrogenolysis of C–O bonds of lignin without external hydrogen. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.152002] |
| 6. Yudong Guo, Xiya Chen, Yuxin Liu, Zhenjun Chen, Peiyuan Guo, Dongxiang Luo, Menglong Zhang, Xiao Liu. (2024) Inorganic–Organic Dual-Ligand-Regulated Photocatalysis of CdS@ZnxCd1–xS@ZnS Quantum Dots for Lignin Valorization. ACS Applied Materials & Interfaces, [PMID:38419339] [10.1021/acsami.3c18957] |
| 7. Yun Tian, Mengqiao Gao, Zhiyang Tang, Fukun Li, Qiang Zeng, Jinxing Long, Xuehui Li. (2024) In-situ generated hydrogen for selective hydrogenolysis of lignin catalyzed by Mg-Al mixed oxides with nested Ni nanoparticles. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2024.115833] |
| 8. Zifan Wu, Yacong Deng, Fengyu Tian, Yidi Wang, Na Fan, Guangzheng Sun, Yichuan Li, Yuan Pan, Bin Liu, Bin Dong, Han Hu, Yongming Chai. (2025) N-doped biochar supported Ni-Co alloy catalyst for efficient hydrocracking of enzymatic hydrolysis lignin to monophenols in water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.159424] |
| 9. Fa-Peng Wu, Le-Le Qiu, Yun-Peng Zhao, Zong-Pin Fu, Jing Liang, Jian Xiao, Jian Li, Fang-Jing Liu, Jing-Pei Cao. (2024) Self-hydrogen transfer hydrogenolysis of β-O-4 bonds in lignin model compounds over NiCu/Al2O3 catalyst. FUEL, [PMID:] [10.1016/j.fuel.2024.132094] |
| 10. Liu Guangyong, Lu Yumiao, Lu JunFeng, Wang Yanlei, Liang Shijing, He Hongyan, Jiang Lilong. (2023) Ionic liquid-trimetallic electrocatalytic system for C-O bond cleavage in lignin model compounds and lignin under ambient conditions. Nano Research, [PMID:] [10.1007/s12274-023-6086-z] |
| 11. Shanshuai Chen, Qiqi Lu, Wanying Han, Puxiang Yan, Hongliang Wang, Wanbin Zhu. (2020) Insights into the oxidation–reduction strategy for lignin conversion to high-value aromatics. FUEL, [PMID:] [10.1016/j.fuel.2020.119333] |
| 12. Jifang Zhang, Chengcheng Suo, Xinchi Hao, Xingyu Zhu, Yiheng Zhuang, Cunyuan Hu, Wei Li, Sha Luo, Bing Tian, Chunhui Ma, Shouxin Liu. (2025) Radical-mediated Cα-Cβ cleavage by ZnIn2S4-based heterojunction materials in photo-electro-catalysis. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2025.116189] |
| 13. Qibin Zeng, Yuancai Lv, Meiyan Shi, Ting Pan, Yunhe Xie, Yifan Liu, Minghua Liu. (2025) Synergistic interaction between Ni single atoms and nanoparticles for selective cleavage of C-O bonds in lignin without external hydrogen. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2025.116565] |
| 14. Feng Chen, Xiang Xia, Wei Chen, Wei Liu, Xinxin Liao, Lei Xiong, Yanqiao Jin. (2026) Highly efficient sea urchin-like N-doped CuCo bimetallic catalyst for selective cleavage of α-O-4 linkage in lignin. Journal of Environmental Chemical Engineering, 14 (3): (122374). [PMID:] [10.1016/j.jece.2026.122374] |
| 15. Shinjae Lee, Hayoung Jeong, Hyungjin Choi, Chaewon Lee, Donghyeon Kim, Eonu Nam, Na Hye Kim, Hyeongeon Lee, Jeong Woo Han, Kwangjin An. (2026) Self-hydrogen supplied reductive catalytic fractionation of lignocellulose over Ru1/Mg(OH)2 for high-yield production of lignin-derived monomers. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2026.179504] |