Mesityl oxide
TL;DR: Mesityl oxide (CAS 141-79-7) is a chemical compound with molecular formula C6H10O and molecular weight 98.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpent-3-en-2-one
Also Known As: MESITYL OXIDE, 4-Methylpent-3-en-2-one, 4-Methyl-3-penten-2-one, Isopropylideneacetone, Mesityloxid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O |
| Molecular Weight | 98.073166 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 96.0 |
| Melting Point | -51 °F (USCG, 1999) |
| Boiling Point | 266 °F at 760 mmHg (USCG, 1999) |
| Density | 0.853 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 73 °F (USCG, 1999) |
| Vapor Pressure | 9 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4425 at 22 °C/D |
| Solubility | 3 % (NIOSH, 2024) |
| SMILES | CC(=CC(=O)C)C |
| InChIKey | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
Product Description
Applications: Mesityl oxide is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A organic building block supplied by CoreyChem, Mesityl oxide (CAS 141-79-7) has the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Reported properties include a density of 0.853 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 3 % (NIOSH, 2024). Synonyms include MESITYL OXIDE and 4-Methylpent-3-en-2-one.
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 Mesityl oxide
Property Insights of Mesityl oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesityl oxide. With a topological polar surface area (TPSA) of 17.1 Ų, Mesityl oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl oxide 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 Mesityl oxide?
The CAS number of Mesityl oxide is 141-79-7.
What is the molecular formula of Mesityl oxide?
The molecular formula of Mesityl oxide is C6H10O.
What is the molecular weight of Mesityl oxide?
The molecular weight of Mesityl oxide is 98.073166 g/mol.
What are the applications of Mesityl oxide?
Mesityl oxide is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as an oxidizing agent in synthetic sequences. Available from CoreyChem as both catalog item...
Where can I buy Mesityl oxide?
You can request a quote for Mesityl oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mesityl oxide?
Yes, CoreyChem provides custom synthesis services for Mesityl oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.