≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normale 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.
Applicazione
Viene impiegato come agente aromatizzante nei gusti di melone, noci e banane. Si applica anche come agente profumante nell'industria cosmetica.
| Pubchem Sid | 504751463 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751463 |
| Sorrisi canonici | CCCCC(=O)CC |
| IUPAC Name | heptan-3-one |
| InChIKey | NGAZZOYFWWSOGK-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 |
| Isomeri SMILES | CCCCC(=O)CC |
| WGK Germania | 1 |
| RTECS | MJ5250000 |
| Numero UN | 1224 |
| Gruppo di imballaggio | I |
| Peso molecolare | 114.19 |
| Beilstein | 506161 |
| Reaxy-Rn | 506161 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506161&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 |
| Classe | 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 |
| Descrizione | 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 | Oxygenated hydrocarbons |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 J2213592 | Certificate of Analysis | Jul 06, 2026 | H103766 |
| E2628037 | Certificate of Analysis | Jun 01, 2026 | H103766 |
| L2104044 | Certificate of Analysis | Sep 09, 2025 | H103766 |
| L2104043 | Certificate of Analysis | Sep 09, 2025 | H103766 |
| L2104042 | Certificate of Analysis | Sep 09, 2025 | H103766 |
| L2104041 | Certificate of Analysis | Sep 09, 2025 | H103766 |
| E2507001 | Certificate of Analysis | May 12, 2025 | H103766 |
| D2129288 | Certificate of Analysis | Feb 07, 2025 | H103766 |
| A2114118 | Certificate of Analysis | Nov 18, 2024 | H103766 |
| A2114119 | Certificate of Analysis | Nov 18, 2024 | H103766 |
| H1513074 | Certificate of Analysis | Apr 12, 2023 | H103766 |
| L2201049 | Certificate of Analysis | Dec 07, 2022 | H103766 |
| J2213594 | Certificate of Analysis | Jul 25, 2022 | H103766 |
| J2213574 | Certificate of Analysis | Jul 25, 2022 | H103766 |
| B2511087 | Certificate of Analysis | Jul 25, 2022 | H103766 |
| B2511081 | Certificate of Analysis | Jul 25, 2022 | H103766 |
| A2619121 | Certificate of Analysis | Jul 25, 2022 | H103766 |
| Solubilità | Insoluble in water, soluble in ethanol. |
|---|---|
| Indice di rifrazione | 1.4090 |
| Punto di infiammabilità (°F) | 100.4 °F |
| Punto di infiammabilità (°C) | 38 °C |
| Punto di ebollizione (°C) | 148°C |
| Punto di fusione (°C) | -39℃ |
| Peso molecolare | 114.190 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 114.104 Da |
| Monoisotopic Mass | 114.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 66.800 |
| 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. Ke Zhang, Jinhuan Cheng, Qidi Hong, Wenjiang Dong, Xiaoai Chen, Guiping Wu, Zhenzhen Zhang. (2022) Identification of changes in the volatile compounds of robusta coffee beans during drying based on HS-SPME/GC-MS and E-nose analyses with the aid of chemometrics. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2022.113317] |
| 2. 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] |
| 3. Huinan Zhai, Wenjiang Dong, Yumei Tang, Rongsuo Hu, Xinxin Yu, Xiaoai Chen. (2024) Characterization of the volatile flavour compounds in Yunnan Arabica coffee prepared by different primary processing methods using HS-SPME/GC-MS and HS-GC-IMS. LWT-FOOD SCIENCE AND TECHNOLOGY, [PMID:] [10.1016/j.lwt.2023.115717] |
| 4. Zhuyu Yang, Zefan Chen, Weijia Zhang, Jinlin Wang, Fan Bai, Ruichang Gao, Yujin Li, Jian Li, Yuanhui Zhao, Xinxing Xu. (2025) Comparison of key odorants and sensory properties of various caviar with different breeding environments, processing conditions, and grades of quality. Food Chemistry-X, [PMID:41312202] [10.1016/j.fochx.2025.103272] |
| 5. Xueping Zhang, Xinxin Yu, Rongsuo Hu, Jiyue Zhang, Wenjiang Dong. (2026) Effects of different roasting temperatures on the flavor characteristics of shelled macadamia kernels: Analysis based on HS-GC-IMS and HS-SPME-GC–MS. FOOD RESEARCH INTERNATIONAL, [PMID:41895955] [10.1016/j.foodres.2026.118878] |
