≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3-Hexanone has been reported as one of the volatile organic compounds (VOCs) in pandan leaves, strawberry and acerola fruit.
It was used in a study to determine Henry′s law coefficients by combination of the equilibrium partitioning in closed systems technique in combination with solid-phase microextraction， It was also used as test species in a study for quantitative determination of volatile organic compounds by chemical ionization reaction mass spectrometry and was used to study the inhibitory activity of some aromatic and aliphatic ketones against Clostridium Botulinum spores and cells.
| Pubchem Sid | 488181364 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181364 |
| Sonrisas canónicas | CCCC(=O)CC |
| IUPAC Name | hexan-3-one |
| InChIKey | PFCHFHIRKBAQGU-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
| Isómeros SMILES | CCCC(=O)CC |
| WGK Alemania | 3 |
| RTECS | MP1575000 |
| Número ONU | 1224 |
| Grupo de embalaje | II |
| Peso molecular | 100.16 |
| Beilstein | 1738025 |
| Reaxy-Rn | 1738025 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738025&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 |
| Clase | 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 |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2113119 | Certificate of Analysis | Aug 13, 2025 | H106710 |
| K2113120 | Certificate of Analysis | Aug 13, 2025 | H106710 |
| K2113133 | Certificate of Analysis | Aug 13, 2025 | H106710 |
| F23131073 | Certificate of Analysis | May 31, 2023 | H106710 |
| F23131108 | Certificate of Analysis | May 31, 2023 | H106710 |
| F23131109 | Certificate of Analysis | May 31, 2023 | H106710 |
| F23131112 | Certificate of Analysis | May 31, 2023 | H106710 |
| F23131115 | Certificate of Analysis | May 31, 2023 | H106710 |
| B2317773 | Certificate of Analysis | Jan 04, 2023 | H106710 |
| B2317774 | Certificate of Analysis | Jan 04, 2023 | H106710 |
| B2317786 | Certificate of Analysis | Jan 04, 2023 | H106710 |
| B2317865 | Certificate of Analysis | Jan 04, 2023 | H106710 |
| Solubilidad | Soluble in water. (14 g/L) |
|---|---|
| Índice de refracción | 1.4004 |
| Punto de inflamación (°F) | 73.4 °F |
| Punto de inflamación (°C) | 23 °C |
| Punto de ebullición (°C) | 123～124°C |
| Peso molecular | 100.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.089 Da |
| Monoisotopic Mass | 100.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 57.200 |
| 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. Die Hu, Wei Chen, Aiqing Miao, Xiaoyan Qiao, Hongling Xia, Chengying Ma. (2023) Analysis of volatile emission of tea (Camellia sinensis) shoots in response to temperature-dependent postharvest treatments. EUROPEAN JOURNAL OF AGRONOMY, [PMID:] [10.1016/j.eja.2023.126821] |
| 2. 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] |
| 3. 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] |
| 4. 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] |
| 5. 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] |
| 6. Jiahao Lai, Bing Liu, Guihong Xiong, Qian Luo, Shuilin Song, Junxi Jiang, Hongyi Wei, Junwen Wang. (2024) Inhibitory mechanism of 4-ethyl-1,2-dimethoxybenzene produced by Streptomyces albidoflavus strain ML27 against Colletotrichum gloeosporioides. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, [PMID:39277399] [10.1016/j.pestbp.2024.106086] |
| 7. 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] |
| 8. Shuwei Wang, Tianyu Dong, Ruijia Liu, Jie Sun, Haitao Chen. (2025) Unraveling the off-flavor compounds and key spice compounds in pork broth and their interaction mechanisms. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2025.108248] |
