≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Pinacolone is a precursor to triazolylpinacolone, triadimefon, paclobutrazol, uniconazole and metribuzin. Furthermore, it acts as an intermediate for biologically active products such as antibacterial, antifungal, antiviral and antituberculous products. It is an important ketone in organic chemistry and participates in condensation, hydrogenation and reductive amination reactions.
| Pubchem Sid | 488180062 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180062 |
| Canonical Smiles | CC(=O)C(C)(C)C |
| IUPAC Name | 3,3-dimethylbutan-2-one |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| Isomeric SMILES | CC(=O)C(C)(C)C |
| WGK Germany | 2 |
| RTECS | EL7700000 |
| UN Number | 1993 |
| Molecular Weight | 100.16 |
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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2607505 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607506 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607507 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607508 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2324630 | Certificate of Analysis | Mar 11, 2026 | P186447 |
| E2324633 | Certificate of Analysis | Mar 11, 2026 | P186447 |
| E2324640 | Certificate of Analysis | Mar 11, 2026 | P186447 |
| I2526564 | Certificate of Analysis | Sep 11, 2025 | P186447 |
| I2526563 | Certificate of Analysis | Sep 11, 2025 | P186447 |
| I2526561 | Certificate of Analysis | Sep 11, 2025 | P186447 |
| K2217174 | Certificate of Analysis | Sep 04, 2025 | P186447 |
| D2507574 | Certificate of Analysis | Mar 22, 2025 | P186447 |
| D2507576 | Certificate of Analysis | Mar 22, 2025 | P186447 |
| D2507575 | Certificate of Analysis | Mar 22, 2025 | P186447 |
| K2109676 | Certificate of Analysis | Aug 13, 2024 | P186447 |
| K2109677 | Certificate of Analysis | Aug 13, 2024 | P186447 |
| K2109682 | Certificate of Analysis | Aug 13, 2024 | P186447 |
| D2514539 | Certificate of Analysis | Jul 08, 2024 | P186447 |
| L2011149 | Certificate of Analysis | Sep 08, 2023 | P186447 |
| D2022162 | Certificate of Analysis | Feb 03, 2023 | P186447 |
| K2217215 | Certificate of Analysis | Jul 16, 2021 | P186447 |
| Solubility | Miscible with water, chloroform, ethanol, ether, acetone and carbon tetrachloride. |
|---|---|
| Refractive Index | 1.397 |
| Flash Point(°F) | 41 °F |
| Flash Point(°C) | 5 ℃ |
| Boil Point(°C) | 105-106 ℃ |
| Melt Point(°C) | -53℃ |
| Molecular Weight | 100.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| 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 | 76.700 |
| 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. Kaixuan Shen, Han Zhao, Yihao Zhao, Xiaoxiang Wang, Ping Cheng, Congfei Yao, Jie Zhang, Yongpeng Yang, Weijia Huang. (2023) Exploring the carbon-chain structure-activity relationship of CO2 and ketone-based absorbents. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2023.137470] |
| 2. Zhongwei Wang, Luxiao Zhou, Peng He, Yukun Qin. (2024) (E)-1-(5-(Hydroxymethyl) furan-2-yl)-4,4-dimethylpent-1-en-3-one. Molbank, 2024 (2): (M1818). [PMID:] [10.3390/M1818] |
| 3. Wuyu Wang, Xuelai Zhao, Yanyan Cui, Xinghua Zhang, Lungang Chen, Qi Zhang, Longlong Ma. (2025) Development of Jet Fuel Components with Ultralow Freezing Points from Biomass-Derived Compounds via Claisen Condensation. ENERGY & FUELS, [PMID:] [10.1021/acs.energyfuels.5c03263] |
