≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 보통 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.
피나콜론은 트리아졸릴피나콜론, 트리아디메폰, 파클로부트라졸, 유니코나졸 및 메트리부진의 전구체입니다. 또한 항균, 항진균, 항바이러스 및 항결핵 제품과 같은 생물학적 활성 제품의 중간체 역할을 합니다. 유기 화학에서 중요한 케톤이며 축합, 수소화 및 환원성 아민화 반응에 참여합니다.
| Pubchem Sid | 488180062 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180062 |
| 정식 스마일 | 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 |
| 이성체 SMILES | CC(=O)C(C)(C)C |
| WGK 독일 | 2 |
| RTECS | EL7700000 |
| UN 번호 | 1993 |
| 분자량 | 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 |
| 분류 | 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 |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 E2607508 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607507 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607506 | Certificate of Analysis | Apr 20, 2026 | P186447 |
| E2607505 | Certificate of Analysis | Apr 20, 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 |
| E2324640 | Certificate of Analysis | May 10, 2023 | P186447 |
| E2324633 | Certificate of Analysis | May 10, 2023 | P186447 |
| E2324630 | Certificate of Analysis | May 10, 2023 | P186447 |
| D2022162 | Certificate of Analysis | Feb 03, 2023 | P186447 |
| K2217215 | Certificate of Analysis | Jul 16, 2021 | P186447 |
| 용해성 | Miscible with water, chloroform, ethanol, ether, acetone and carbon tetrachloride. |
|---|---|
| 굴절률 | 1.397 |
| 발화점(°F) | 41 °F |
| 발화점(°C) | 5 ℃ |
| 끓는점(°C) | 105-106 ℃ |
| 녹는점(°C) | -53℃ |
| 분자량 | 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] |
