Allyl Heptanoate
TL;DR: Allyl Heptanoate (CAS 142-19-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl heptanoate
Also Known As: Allyl heptanoate, Allyl heptylate, Allyl enanthate, Allyl heptoate, 2-Propenyl heptanoate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
| Boiling Point | 210.00 to 212.00 °C. @ 760.00 mm Hg |
| Density | 0.880-0.885 |
| Refractive Index | 1.426-1.430 |
| Solubility | 63 mg/L @ 20 °C (exp) |
| SMILES | CCCCCCC(=O)OCC=C |
| InChIKey | SJWKGDGUQTWDRV-UHFFFAOYSA-N |
Product Description
Applications: Allyl Heptanoate is used in pharmaceutical synthesis routes and API production, 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 pharmaceutical intermediate supplied by CoreyChem, Allyl Heptanoate (CAS 142-19-8) has the molecular formula C10H18O2 and a molecular weight of 170.13 g/mol. Reported properties include a density of 0.880-0.885 g/cm³, a solubility: 63 mg/L @ 20 °C (exp). Synonyms include Allyl heptanoate and Allyl heptylate.
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 Allyl Heptanoate
Property Insights of Allyl Heptanoate
The XLogP value of 3.2 indicates that Allyl Heptanoate 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 Heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl Heptanoate 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 Heptanoate?
The CAS number of Allyl Heptanoate is 142-19-8.
What is the molecular formula of Allyl Heptanoate?
The molecular formula of Allyl Heptanoate is C10H18O2.
What is the molecular weight of Allyl Heptanoate?
The molecular weight of Allyl Heptanoate is 170.13068 g/mol.
What are the applications of Allyl Heptanoate?
Allyl Heptanoate is used in pharmaceutical synthesis routes and API production, 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...
Where can I buy Allyl Heptanoate?
You can request a quote for Allyl Heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl Heptanoate?
Yes, CoreyChem provides custom synthesis services for Allyl Heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.