1-Octen-3-yl acetate
TL;DR: 1-Octen-3-yl acetate (CAS 2442-10-6) 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.
oct-1-en-3-yl acetate
Also Known As: 1-Octen-3-yl acetate, Oct-1-en-3-yl acetate, Octenyl acetate, 3-Acetoxyoctene, 3-Acetoxy-1-octene
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| Boiling Point | 189.00 to 190.00 °C. @ 760.00 mm Hg |
| Density | 0.870-0.876 |
| Refractive Index | 1.420-1.425 |
| Solubility | Insoluble in water, propylene glycol; soluble in most fixed oils |
| SMILES | CCCCCC(C=C)OC(=O)C |
| InChIKey | DOJDQRFOTHOBEK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Octen-3-yl acetate
Property Insights of 1-Octen-3-yl acetate
The XLogP value of 3.1 indicates that 1-Octen-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Octen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octen-3-yl acetate 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 1-Octen-3-yl acetate?
The CAS number of 1-Octen-3-yl acetate is 2442-10-6.
What is the molecular formula of 1-Octen-3-yl acetate?
The molecular formula of 1-Octen-3-yl acetate is C10H18O2.
What is the molecular weight of 1-Octen-3-yl acetate?
The molecular weight of 1-Octen-3-yl acetate is 170.13068 g/mol.
Where can I buy 1-Octen-3-yl acetate?
You can request a quote for 1-Octen-3-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octen-3-yl acetate?
Yes, CoreyChem provides custom synthesis services for 1-Octen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.