≥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.
Product Description：
4-Heptanone is a volatile constituent of human urine.
Product Application：
4-Heptanone is used as a solvent for nitrocellulose as well as in organic synthesis. It is involved in the preparation of flavorings. It is used as an intermediate in the synthesis of active pharmaceutical ingredients. Further, it is used in paints and coatings.
4-Heptanone was used in the quantitative analysis of 4-Heptanone in urine samples by gas chromatography-mass spectrometry. 4-Heptanone was used to evaluate the enantioselectivity and catalytic ability of the 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB.
| Pubchem Sid | 488183147 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183147 |
| Canonical Smiles | CCCC(=O)CCC |
| IUPAC Name | heptan-4-one |
| InChIKey | HCFAJYNVAYBARA-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| Isomeric SMILES | CCCC(=O)CCC |
| WGK Germany | 2 |
| RTECS | MJ5600000 |
| UN Number | 2710 |
| Packing Group | III |
| Molecular Weight | 114.19 |
| Beilstein | 1699049 |
| Reaxy-Rn | 1699049 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699049&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 | Oxygenated hydrocarbons |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2517337 | Certificate of Analysis | Dec 06, 2025 | H103840 |
| L2517317 | Certificate of Analysis | Dec 06, 2025 | H103840 |
| L2517318 | Certificate of Analysis | Dec 06, 2025 | H103840 |
| E2612103 | Certificate of Analysis | Dec 06, 2025 | H103840 |
| K2118504 | Certificate of Analysis | Sep 04, 2025 | H103840 |
| I2128036 | Certificate of Analysis | Jul 14, 2025 | H103840 |
| J2409896 | Certificate of Analysis | Apr 26, 2024 | H103840 |
| D2014104 | Certificate of Analysis | Feb 21, 2024 | H103840 |
| E2325523 | Certificate of Analysis | May 13, 2023 | H103840 |
| E2325592 | Certificate of Analysis | May 13, 2023 | H103840 |
| E2325599 | Certificate of Analysis | May 13, 2023 | H103840 |
| E2325602 | Certificate of Analysis | May 13, 2023 | H103840 |
| E2325519 | Certificate of Analysis | May 13, 2023 | H103840 |
| E2325515 | Certificate of Analysis | May 13, 2023 | H103840 |
| L2206553 | Certificate of Analysis | Nov 24, 2022 | H103840 |
| L2206523 | Certificate of Analysis | Nov 24, 2022 | H103840 |
| L2206533 | Certificate of Analysis | Nov 24, 2022 | H103840 |
| H2219241 | Certificate of Analysis | Jun 20, 2022 | H103840 |
| H2219242 | Certificate of Analysis | Jun 20, 2022 | H103840 |
| H2219240 | Certificate of Analysis | Jun 20, 2022 | H103840 |
| H2219239 | Certificate of Analysis | Jun 20, 2022 | H103840 |
| D2314078 | Certificate of Analysis | Jun 20, 2022 | H103840 |
| Solubility | Miscible with alcohol, ligroin and ether. Immiscible with water. |
|---|---|
| Refractive Index | 1.407 |
| Flash Point(°F) | 120.2 °F |
| Flash Point(°C) | 48℃ |
| Boil Point(°C) | 145°C |
| Melt Point(°C) | -33°C |
| Molecular Weight | 114.190 g/mol |
| XLogP3 | 1.600 |
| 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 | 58.800 |
| 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. Zhao Yang, Yan Xiong, Ting Li, Zhiqing Yang, Bing Hui Chen. (2023) Boosting acetone hydrogenation at room temperature on Ru-Sn/C catalyst. CATALYSIS COMMUNICATIONS, [PMID:] [10.1016/j.catcom.2023.106822] |
| 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. Sijia Hao, Yayu Yang, Ailing Han, Jianan Chen, Xiaoyu Luo, Guozhen Fang, Jifeng Liu, Shuo Wang. (2022) Glycosides and Their Corresponding Small Molecules Inhibit Aggregation and Alleviate Cytotoxicity of Aβ40. ACS Chemical Neuroscience, [PMID:35230090] [10.1021/acschemneuro.1c00729] |
| 4. Zhenyu Lu, Xiaotian Lu, Ling Xia, Yanhui Zhong, Gongke Li, Yufei Hu. (2021) Cobalt doped nitrogenous porous carbon derived from covalent organic framework as cataluminescence catalyst for rapid determination of n-hexane in edible oil. TALANTA, [PMID:34074414] [10.1016/j.talanta.2021.122428] |
| 5. Hongyan Wang, Zixuan Li, Yin Liu, Linfeng Cui, Bo Liu. (2024) Refinement of non-covalent interactions via hetero-seeded self-assembly for the pathway complexity control of perylene derivatives. Surfaces and Interfaces, [PMID:] [10.1016/j.surfin.2024.105257] |
| 6. Qianchun Zhang, Yuxian Zhao, Zhaoru Ban, Li Jiang, Shan Tang. (2024) Synthesis of Mesoporous SiO2 Nanomicrospheres for the Efficient Cataluminescence Sensing of Isobutyraldehyde. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.4c02931] |
| 7. Ruiyi Sun, Fan Li, Yu Xie, Na Sui, Yong Li, Junlian Wang. (2025) Synthesis of Novel γ-Carbon-Substituted Dialkylphosphinic Acids (P355/P227-355): Unraveling Structural Symmetry Effects on Middle Rare Earth Separation and Extraction Mechanism. Separations, 12 (11): (303). [PMID:] [10.3390/separations12110303] |
| 8. Xiaofei Xin, Yifu Lyu, Huanyu Qin, Jinyu Dai, Di Wu, Yu Ding, Qiang Tian, Chao Qin, Na Li, Lifang Yin. (2026) Structure–Activity-Driven Multicompartment Lipid Nanoparticles for Synergistic mRNA and siRNA Codelivery in Acute Myeloid Leukemia. Journal of the American Chemical Society, [PMID:41719142] [10.1021/jacs.5c23209] |
