≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752147 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752147 |
| Canonical Smiles | CCCCC(=O)CCC |
| IUPAC Name | octan-4-one |
| InChIKey | YWXLSHOWXZUMSR-UHFFFAOYSA-N |
| INCHI | 1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3 |
| Isomeric SMILES | CCCCC(=O)CCC |
| Molecular Weight | 128.22 |
| Beilstein | 1(4)3342 |
| Reaxy-Rn | 1700025 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700025&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 | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Refractive Index | 1.41 |
| Flash Point(°C) | 54 °C |
| Boil Point(°C) | 166°C |
| Molecular Weight | 128.210 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.12 Da |
| Monoisotopic Mass | 128.12 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 76.600 |
| 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. Li Liu, Tianhong Liu, Yuanhui Zhao, Mingyong Zeng, Xinxing Xu. (2025) Integrating metabolite profiles and macrotranscriptomics to explore the flavor improvement mechanisms of fermented oyster hydrolysates with endogenous microbe (Lactobacillus pentosus) inoculation. FOOD RESEARCH INTERNATIONAL, [PMID:39967166] [10.1016/j.foodres.2025.115712] |
| 2. 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] |
| 3. Tianyu Dong, Shuwei Wang, Panpan Wu, Jie Sun, Haitao Chen, Shuqi Wang. (2026) Unraveling the influence of storage condition on off-flavor generation in fried pepper (Zanthoxylum bungeanum Maxim.) oil during storage through molecular sensory science and simulation experiment. FOOD CHEMISTRY, [PMID:41707273] [10.1016/j.foodchem.2026.148415] |
B2315852