Pinacolone
TL;DR: Pinacolone (CAS 75-97-8) is a chemical compound with molecular formula C6H12O and molecular weight 100.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylbutan-2-one
Also Known As: Pinacolone, Pinacolin, Pinacoline, 3,3-DIMETHYL-2-BUTANONE, 3,3-dimethylbutan-2-one
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O |
| Molecular Weight | 100.08881 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.08881 Da |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| Melting Point | -52.5 °C |
| Boiling Point | 106.1 °C |
| Density | 0.7229 at 25 °C/25 °C |
| Flash Point | 23 °C |
| Vapor Pressure | 31.5 [mmHg] |
| Refractive Index | Index of refraction: 1.3952 at 20 °C/D |
| Solubility | Soluble in ethanol, ether, acetone, carbon tetrachloride |
| SMILES | CC(=O)C(C)(C)C |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
Product Description
Applications: Pinacolone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pinacolone (CAS 75-97-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pinacolone (CAS 75-97-8) is a heterocyclic building block with the molecular formula C6H12O and a molecular weight of 100.09 g/mol. Key physical properties include a density of 0.7229 at 25 °C/25 °C g/cm³, a solubility: Soluble in ethanol, ether, acetone, carbon tetrachloride. It is also known as Pinacolone and Pinacolin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pinacolone
Property Insights of Pinacolone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinacolone. With a topological polar surface area (TPSA) of 17.1 Ų, Pinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinacolone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pinacolone?
The CAS number of Pinacolone is 75-97-8.
What is the molecular formula of Pinacolone?
The molecular formula of Pinacolone is C6H12O.
What is the molecular weight of Pinacolone?
The molecular weight of Pinacolone is 100.08881 g/mol.
What are the applications of Pinacolone?
Pinacolone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pinacolone (CAS...
Where can I buy Pinacolone?
You can request a quote for Pinacolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pinacolone?
Yes, CoreyChem provides custom synthesis services for Pinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.