Octyl formate
TL;DR: Octyl formate (CAS 112-32-3) 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.
octyl formate
Also Known As: Octyl formate, n-Octyl formate, Octyl methanoate, n-Octyl methanoate, FORMIC ACID, OCTYL ESTER
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 81.0 |
| Melting Point | -39.1 °C |
| Boiling Point | 87.00 to 89.00 °C. @ 20.00 mm Hg |
| Density | 0.869-0.874 |
| Refractive Index | 1.418-1.420 |
| Solubility | soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol |
| SMILES | CCCCCCCCOC=O |
| InChIKey | AVBRYQRTMPHARE-UHFFFAOYSA-N |
Product Description
Applications: Octyl formate 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).
A heterocyclic building block supplied by CoreyChem, Octyl formate (CAS 112-32-3) has the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Reported properties include a density of 0.869-0.874 g/cm³, a solubility: soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol. Synonyms include Octyl formate and n-Octyl formate.
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 formate
Property Insights of Octyl formate
The XLogP value of 3.5 indicates that Octyl formate 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 formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl formate 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 formate?
The CAS number of Octyl formate is 112-32-3.
What is the molecular formula of Octyl formate?
The molecular formula of Octyl formate is C9H18O2.
What is the molecular weight of Octyl formate?
The molecular weight of Octyl formate is 158.13068 g/mol.
What are the applications of Octyl formate?
Octyl formate 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 formate?
You can request a quote for Octyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl formate?
Yes, CoreyChem provides custom synthesis services for Octyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.