Octyl formate
TL;DR: Octyl formate (CAS 112-32-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl formate
Also Known As: Octyl formate, n-Octyl formate, Octyl methanoate, n-Octyl methanoate, FORMIC ACID, OCTYL ESTER
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 158.13068 |
| 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 |
| Solubility | soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol |
| Refractive Index | 1.418-1.420 |
Chemical Identifiers
| CAS Number | 112-32-3 |
|---|---|
| SMILES | CCCCCCCCOC=O |
| InChIKey | AVBRYQRTMPHARE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl formate (CAS 112-32-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: octyl formate.
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
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 158.13 g/mol.
Where can I buy Octyl formate?
You can request a quote for Octyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl formate?
Yes, KEHONG BIO provides custom synthesis services for Octyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.