Octyl phenylacetate
TL;DR: Octyl phenylacetate (CAS 122-45-2) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-phenylacetate
Also Known As: Octyl phenylacetate, octyl 2-phenylacetate, Octyl alpha-toluate, Octyl benzeneacetate, octyl phenyl acetate
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 207.0 |
| Density | 0.950-0.956 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.479-1.487 |
Chemical Identifiers
| CAS Number | 122-45-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | VGYPAVUJUMQTGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl phenylacetate (CAS 122-45-2), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: octyl 2-phenylacetate.
Chemical Property Profile of Octyl phenylacetate
Property Insights of Octyl phenylacetate
The XLogP value of 5.3 indicates that Octyl phenylacetate 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 phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl phenylacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl phenylacetate?
The CAS number of Octyl phenylacetate is 122-45-2.
What is the molecular formula of Octyl phenylacetate?
The molecular formula of Octyl phenylacetate is C16H24O2.
What is the molecular weight of Octyl phenylacetate?
The molecular weight of Octyl phenylacetate is 248.18 g/mol.
Where can I buy Octyl phenylacetate?
You can request a quote for Octyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.