Allyl nonanoate
TL;DR: Allyl nonanoate (CAS 7493-72-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
壬酸烯丙酯
prop-2-enyl nonanoate
Also Known As: ALLYL NONANOATE, Allyl pelargonate, Allyl nonylate, prop-2-enyl nonanoate, 2-Propenyl nonanoate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
| Boiling Point | 189 to 196 °F at 3 mmHg (NTP, 1992) |
| Density | 0.841 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 84 °F (NTP, 1992) |
| Refractive Index | 1.430-1.436 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CCCCCCCCC(=O)OCC=C |
| InChIKey | MFLWLDDOGSNSKO-UHFFFAOYSA-N |
Chemical Property Profile of Allyl nonanoate
Property Insights of Allyl nonanoate
The XLogP value of 4.3 indicates that Allyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl nonanoate 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 Allyl nonanoate?
The CAS number of Allyl nonanoate is 7493-72-3.
What is the molecular formula of Allyl nonanoate?
The molecular formula of Allyl nonanoate is C12H22O2.
What is the molecular weight of Allyl nonanoate?
The molecular weight of Allyl nonanoate is 198.16199 g/mol.
Where can I buy Allyl nonanoate?
You can request a quote for Allyl nonanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl nonanoate?
Yes, CoreyChem provides custom synthesis services for Allyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.