4-Methylcyclohexanone
TL;DR: 4-Methylcyclohexanone (CAS 589-92-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylcyclohexan-1-one
Also Known As: 4-METHYLCYCLOHEXANONE, 4-methylcyclohexan-1-one, Cyclohexanone, 4-methyl-, 4-Methyl-1-cyclohexanone, Tetrahydro-p-cresol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O |
| Molecular Weight | 112.08881 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 Da |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| Melting Point | -40.6 °C |
| Boiling Point | 169.00 to 171.00 °C. @ 760.00 mm Hg |
| Density | 0.924-0.934 |
| Vapor Pressure | 1.5 [mmHg] |
| Refractive Index | 1.441-1.452 |
| Solubility | insoluble in water; soluble in oils |
| SMILES | CC1CCC(=O)CC1 |
| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylcyclohexanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. 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 heterocyclic building block supplied by CoreyChem, 4-Methylcyclohexanone (CAS 589-92-4) has the molecular formula C7H12O and a molecular weight of 112.09 g/mol. Reported properties include a density of 0.924-0.934 g/cm³, a solubility: insoluble in water; soluble in oils. Synonyms include 4-METHYLCYCLOHEXANONE and 4-methylcyclohexan-1-one.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Methylcyclohexanone
Property Insights of 4-Methylcyclohexanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcyclohexanone 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 4-Methylcyclohexanone?
The CAS number of 4-Methylcyclohexanone is 589-92-4.
What is the molecular formula of 4-Methylcyclohexanone?
The molecular formula of 4-Methylcyclohexanone is C7H12O.
What is the molecular weight of 4-Methylcyclohexanone?
The molecular weight of 4-Methylcyclohexanone is 112.08881 g/mol.
What are the applications of 4-Methylcyclohexanone?
4-Methylcyclohexanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Methylcyclohexanone?
You can request a quote for 4-Methylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for 4-Methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.