Zingerone
TL;DR: Zingerone (CAS 122-48-5) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-hydroxy-3-methoxyphenyl)butan-2-one
Also Known As: Vanillylacetone, ZINGERONE, Zingiberone, Zingherone, Gingerone
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| Melting Point | 40.5 °C |
| Boiling Point | 187-188 °C @ 14 mm Hg |
| Density | 1.138-1.139 @ 25 °C |
| Flash Point | APPROX 102 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5440-1.5450 @ 20 °C/D |
| Solubility | Sparingly sol in water, petroleum ether; sol in ether, dil alkalies |
| SMILES | CC(=O)CCC1=CC(=C(C=C1)O)OC |
| InChIKey | OJYLAHXKWMRDGS-UHFFFAOYSA-N |
Chemical Property Profile of Zingerone
Property Insights of Zingerone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zingerone. With a topological polar surface area (TPSA) of 46.5 Ų, Zingerone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zingerone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Zingerone?
The CAS number of Zingerone is 122-48-5.
What is the molecular formula of Zingerone?
The molecular formula of Zingerone is C11H14O3.
What is the molecular weight of Zingerone?
The molecular weight of Zingerone is 194.0943 g/mol.
Where can I buy Zingerone?
You can request a quote for Zingerone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Zingerone?
Yes, CoreyChem provides custom synthesis services for Zingerone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.