Ethyl Heptanoate
TL;DR: Ethyl Heptanoate (CAS 106-30-9) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl heptanoate
Also Known As: ETHYL HEPTANOATE, Ethyl enanthate, Oenanthic ether, Ethyl heptylate, Ethyl heptoate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -66.1 °C |
| Boiling Point | 188.00 to 189.00 °C. @ 760.00 mm Hg |
| Density | 0.867-0.872 |
| Refractive Index | 1.411-1.415 |
| Solubility | 0.29 mg/mL |
| SMILES | CCCCCCC(=O)OCC |
| InChIKey | TVQGDYNRXLTQAP-UHFFFAOYSA-N |
Product Description
Applications: Ethyl Heptanoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Ethyl Heptanoate (CAS 106-30-9) is a pharmaceutical intermediate with the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Key physical properties include a density of 0.867-0.872 g/cm³, a solubility: 0.29 mg/mL. Synonyms include ETHYL HEPTANOATE and Ethyl enanthate.
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 Ethyl Heptanoate
Property Insights of Ethyl Heptanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl Heptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl Heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl Heptanoate?
The CAS number of Ethyl Heptanoate is 106-30-9.
What is the molecular formula of Ethyl Heptanoate?
The molecular formula of Ethyl Heptanoate is C9H18O2.
What is the molecular weight of Ethyl Heptanoate?
The molecular weight of Ethyl Heptanoate is 158.13068 g/mol.
What are the applications of Ethyl Heptanoate?
Ethyl Heptanoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl Heptanoate?
You can request a quote for Ethyl Heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl Heptanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl Heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.