Phorone
TL;DR: Phorone (CAS 504-20-1) is a chemical compound with molecular formula C9H14O and molecular weight 138.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylhepta-2,5-dien-4-one
Also Known As: PHORONE, 2,6-Dimethyl-2,5-heptadien-4-one, Foron, Diisopropylidene acetone, Diisobutenyl ketone
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O |
| Molecular Weight | 138.10446 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.10446 Da |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
| Melting Point | 28 °C |
| Boiling Point | 198 °C |
| Density | Relative density (water = 1): 0.9 |
| Flash Point | 185 °F (NFPA, 2010) |
| Vapor Pressure | 0.38 [mmHg] |
| Solubility | Solubility in water: poor |
| SMILES | CC(=CC(=O)C=C(C)C)C |
| InChIKey | MTZWHHIREPJPTG-UHFFFAOYSA-N |
Product Description
Applications: Phorone is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. 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 organic building block supplied by CoreyChem, Phorone (CAS 504-20-1) has the molecular formula C9H14O and a molecular weight of 138.1 g/mol. Reported properties include a density of Relative density (water = 1): 0.9 g/cm³, a solubility: Solubility in water: poor. Synonyms include PHORONE and 2,6-Dimethyl-2,5-heptadien-4-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 Phorone
Property Insights of Phorone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phorone. With a topological polar surface area (TPSA) of 17.1 Ų, Phorone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phorone 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 Phorone?
The CAS number of Phorone is 504-20-1.
What is the molecular formula of Phorone?
The molecular formula of Phorone is C9H14O.
What is the molecular weight of Phorone?
The molecular weight of Phorone is 138.10446 g/mol.
What are the applications of Phorone?
Phorone is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Phorone?
You can request a quote for Phorone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phorone?
Yes, CoreyChem provides custom synthesis services for Phorone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.