1-Methyl-2,3-cyclohexadione
TL;DR: 1-Methyl-2,3-cyclohexadione (CAS 3008-43-3) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylcyclohexane-1,2-dione
Also Known As: 3-Methylcyclohexane-1,2-dione, coffee dione, 3-Methyl-1,2-cyclohexanedione, 1-Methyl-2,3-cyclohexadione, methylcyclohexanedione
Technical Specifications
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.06808 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 Da |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
| Purity | ≥98% |
| Melting Point | 61.0 |
| Boiling Point | 69.0 |
| SMILES | CC1CCCC(=O)C1=O |
| InChIKey | JDXJKLGWPNXSHL-UHFFFAOYSA-N |
Product Description
Applications: 1-Methyl-2,3-cyclohexadione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥98%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1-Methyl-2,3-cyclohexadione (CAS 3008-43-3) is a fine chemical with the molecular formula C7H10O2 and a molecular weight of 126.07 g/mol. Synonyms include 3-Methylcyclohexane-1,2-dione and coffee dione.
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 1-Methyl-2,3-cyclohexadione
Property Insights of 1-Methyl-2,3-cyclohexadione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2,3-cyclohexadione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Methyl-2,3-cyclohexadione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2,3-cyclohexadione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-2,3-cyclohexadione?
The CAS number of 1-Methyl-2,3-cyclohexadione is 3008-43-3.
What is the molecular formula of 1-Methyl-2,3-cyclohexadione?
The molecular formula of 1-Methyl-2,3-cyclohexadione is C7H10O2.
What is the molecular weight of 1-Methyl-2,3-cyclohexadione?
The molecular weight of 1-Methyl-2,3-cyclohexadione is 126.06808 g/mol.
What are the applications of 1-Methyl-2,3-cyclohexadione?
1-Methyl-2,3-cyclohexadione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥98%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy 1-Methyl-2,3-cyclohexadione?
You can request a quote for 1-Methyl-2,3-cyclohexadione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2,3-cyclohexadione?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2,3-cyclohexadione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.