Octyl Acetate
TL;DR: Octyl Acetate (CAS 112-14-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl acetate
Also Known As: Octyl acetate, n-Octyl acetate, Caprylyl acetate, 1-Octyl acetate, Octyl ethanoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
| Melting Point | -38.5 °C |
| Boiling Point | 206.00 to 211.00 °C. @ 760.00 mm Hg |
| Density | 0.865-0.868 |
| Vapor Pressure | 0.4 [mmHg] |
| Refractive Index | 1.418-1.421 |
| Solubility | miscible with alcohol, most fixed oils, organic solvents; insoluble in water |
| SMILES | CCCCCCCCOC(=O)C |
| InChIKey | YLYBTZIQSIBWLI-UHFFFAOYSA-N |
Product Description
Applications: Octyl Acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Octyl Acetate (CAS 112-14-1) is a heterocyclic building block with the molecular formula C10H20O2 and a molecular weight of 172.15 g/mol. Key physical properties include a density of 0.865-0.868 g/cm³, a solubility: miscible with alcohol, most fixed oils, organic solvents; insoluble in water. Synonyms include Octyl acetate and n-Octyl acetate.
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 Octyl Acetate
Property Insights of Octyl Acetate
The XLogP value of 3.4 indicates that Octyl 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, Octyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl Acetate?
The CAS number of Octyl Acetate is 112-14-1.
What is the molecular formula of Octyl Acetate?
The molecular formula of Octyl Acetate is C10H20O2.
What is the molecular weight of Octyl Acetate?
The molecular weight of Octyl Acetate is 172.14633 g/mol.
What are the applications of Octyl Acetate?
Octyl Acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Octyl Acetate?
You can request a quote for Octyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl Acetate?
Yes, CoreyChem provides custom synthesis services for Octyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.