Ethyl 2-acetyloctanoate
TL;DR: Ethyl 2-acetyloctanoate (CAS 29214-60-6) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-acetyloctanoate
Also Known As: Ethyl 2-acetyloctanoate, Ethyl 2-acetylcaprylate, Ethyl 2-Hexylacetoacetate, jasmin acetoacetate, GELSONE
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O3 |
| Molecular Weight | 214.15689 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.15689 Da |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| Density | 0.934-0.940 (20°) |
| Refractive Index | 1.430-1.440 |
| Solubility | Soluble in water |
| SMILES | CCCCCCC(C(=O)C)C(=O)OCC |
| InChIKey | BRGRZPQESQKATK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-acetyloctanoate
Property Insights of Ethyl 2-acetyloctanoate
The XLogP value of 3.4 indicates that Ethyl 2-acetyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyloctanoate has 0 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 Ethyl 2-acetyloctanoate?
The CAS number of Ethyl 2-acetyloctanoate is 29214-60-6.
What is the molecular formula of Ethyl 2-acetyloctanoate?
The molecular formula of Ethyl 2-acetyloctanoate is C12H22O3.
What is the molecular weight of Ethyl 2-acetyloctanoate?
The molecular weight of Ethyl 2-acetyloctanoate is 214.15689 g/mol.
Where can I buy Ethyl 2-acetyloctanoate?
You can request a quote for Ethyl 2-acetyloctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-acetyloctanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-acetyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.