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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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analytical standard, for environmental analysis, ≥99.5%(GC) Analytical standard,for Environmental analysis for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated,Cool Ships FedEx DG Service 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 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC(=O)CC |
|---|---|
| IUPAC Name | pentan-3-one |
| InChIKey | FDPIMTJIUBPUKL-UHFFFAOYSA-N |
| INCHI | 1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 |
| Isomeric SMILES | CCC(=O)CC |
| WGK Germany | 1 |
| RTECS | SA8050000 |
| UN Number | 1156 |
| Packing Group | II |
| Molecular Weight | 86.13 |
| Beilstein | 635749 |
| Reaxy-Rn | 635749 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635749&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 | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | a ketone |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Refractive Index | 1.392 |
|---|---|
| Flash Point(°F) | 44.6℉ |
| Flash Point(°C) | 7℃ |
| Boil Point(°C) | 101.5°C |
| Melt Point(°C) | -42°C |
| Molecular Weight | 86.130 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.0732 Da |
| Monoisotopic Mass | 86.0732 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 41.900 |
| 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. Mengyang Liu, Bin Gu, Jingmei Li, Huangzhao Wei, Weiyang Xue, Yukun Jiang, Chenglin Sun. (2023) Synergistic Effect Enhancing Baeyer-Villiger Oxidation Performance of Resin-Derived-Carbon Supported FeCe Bimetallic Catalyst. ChemCatChem, 15 (21): (e202300852). [PMID:] [10.1002/cctc.202300852] |
| 2. Yanru Zhang, Jingjing Zhang, Ying Wang, Yang Li, Jun He, Yanyan Wang, Longbo Zhang, Zhenpeng Wang, Qingli Qian, Buxing Han. (2023) Synthesis of Carboxylic Acids via Reaction of Ketones/Aldehydes with CO2 and H2. ORGANOMETALLICS, [PMID:] [10.1021/acs.organomet.3c00294] |
| 3. Yuan Zhang, Yongshuai Wang, Hongyou Cui, Fang Wang, Zhihe Li, Changhua Sun, Yun Jia, Yujiao Xie, Feng Song, Jiangang Wang, Weiming Yi. (2023) Co-pyrolysis of biomass with Red Mud: An efficient approach to improving bio-oil quality and resourceful utilization of the iron in Red Mud. FUEL, [PMID:] [10.1016/j.fuel.2023.129482] |
| 4. Jingwei Cao, Hongyue Guo, Qingsong Li. (2023) Experimental Determination and Thermodynamic Modeling of Liquid–Liquid Equilibrium for the Ternary Mixture System: Water + 3-Pentanone + Different Solvents at 308.2 K under 101.3 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.3c00285] |
| 5. Shanshan Shao, Pengfei Zhang, Xianliang Xiang, Xiaohua Li, Huiyan Zhang. (2022) Promoted ketonization of bagasse pyrolysis gas over red mud-based oxides. RENEWABLE ENERGY, [PMID:] [10.1016/j.renene.2022.02.105] |
| 6. Yiwen Cao, Shenjie Zhu, Lin Zhang, Qun Cui, Haiyan Wang. (2021) Qualitative and quantitative determination of trace aldehydes and ketones in food preservative propionic acid for quality improvement. Analytical Methods, 13 (26): (2989-2996). [PMID:34124731] [10.1039/D1AY00742D] |
| 7. Xue Li, Yuan-Yuan Cui, Cheng-Xiong Yang. (2020) Covalent coupling fabrication of microporous organic network bonded capillary columns for gas chromatographic separation. TALANTA, [PMID:33379116] [10.1016/j.talanta.2020.121914] |
| 8. Wan-Xia Wu. (2020) Lipase-catalyzed synthesis and post-polymerization modification of new fully bio-based poly(hexamethylene γ-ketopimelate) and poly(hexamethylene γ-ketopimelate-co-hexamethylene adipate) copolyesters. E-POLYMERS, 20 (1): (214-225). [PMID:] [10.1515/epoly-2020-0016] |
| 9. Hui Shen, Mingquan Huang, Mouming Zhao, Weizheng Sun. (2019) Interactions of selected ketone flavours with porcine myofibrillar proteins: The role of molecular structure of flavour compounds. FOOD CHEMISTRY, [PMID:31261004] [10.1016/j.foodchem.2019.125060] |
| 10. Zhao Yang, Wenhan Chen, Jinbao Zheng, Zhiqing Yang, Nuowei Zhang, Chuan-Jian Zhong, Bing Hui Chen. (2018) Efficient low-temperature hydrogenation of acetone on bimetallic Pt-Ru/C catalyst. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2018.04.011] |
| 11. Yufei Wu, Jie Hou, Yuliang Liu, Mingfu Zhang, Chen-Ho Tung, Yifeng Wang. (2016) Chemoselective Claisen–Schmidt bis-substitutional condensation catalyzed by an alkoxy-bridged dinuclear Ti(IV) cluster. TETRAHEDRON, [PMID:] [10.1016/j.tet.2016.01.055] |
| 12. Ye-Yu Wu, Cheng-Xiong Yang, Xiu-Ping Yan. (2015) An in situ growth approach to the fabrication of zeolite imidazolate framework-90 bonded capillary column for gas chromatography separation. ANALYST, 140 (9): (3107-3112). [PMID:25742491] [10.1039/C5AN00077G] |
| 13. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao. (2014) Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test. FOOD CHEMISTRY, [PMID:25148982] [10.1016/j.foodchem.2014.06.057] |
| 14. Hong-Hui Shu, Yun Liu, Sheng-Li Han, Xiuqin Fang, Chang Wang, Cheng-Mei Liu. (2024) A novel amine-first strategy suitable for pre-paring both functional and engineering bi-opolyamides: Furfurylamine as the sole furan source of bisfu-ranic dia-mine/diacid monomers. Polymer Chemistry, [PMID:] [10.1039/D4PY00567H] |
| 15. Mengmeng Ji, Yi Chen, Yufei Hu, Gongke Li. (2024) Rapid differentiation of coffee bean origin by ketones-based cyclic cataluminescence method. TALANTA, [PMID:39613488] [10.1016/j.talanta.2024.127261] |
| 16. Yuxin Wang, Hengyi Xu, Bo Sui, Hui Xi, Yingjie Fu, Wuduo Zhao, Peng Li, Shihao Sun, Dingzhong Wang, Jianxun Zhang. (2024) Self-aspiration sampling design for rapid analyses of volatile organic compounds based on atmospheric pressure chemical ionization/photoionization combined ionization source mass spectrometry. Analytical Methods, [PMID:38450684] [10.1039/D4AY00019F] |
| 17. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao. (2013) Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China. FOOD CHEMISTRY, [PMID:24128458] [10.1016/j.foodchem.2013.07.072] |
| 18. Jiyao Wang, Ruina Zhang, Shihao Li, Binghang Du, Xiaohao Wang, Kai Ni. (2025) Achieving Improved Ion Swarm Shaping Based on Ion Leakage Control in Ion Mobility Spectrometry. ANALYTICAL CHEMISTRY, [PMID:40267116] [10.1021/acs.analchem.4c05889] |
| 19. Qingrui Zeng, Ziang Jia, Yingyang Song, Yiwen Fan, Xu Liu, Jinping Cheng. (2025) Novel ketone-based IPDA phase change absorbents for highly efficient wide-concentration-range CO2 capture and low-energy regeneration. Engineering, [PMID:] [10.1016/j.eng.2025.05.008] |
| 20. Zhipeng Su, Xueyin Zhang, Haiwei Li, Pingchuan Sun, Tiehong Chen. (2026) Hydrophobic, Nitrogen-Free Organic Molecule-Protected Alkali Desilication for Hierarchical Zeolites with High Crystallinity and Porosity. LANGMUIR, [PMID:] [10.1021/acs.langmuir.5c06631] |
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