Isoamyl phenylacetate
TL;DR: Isoamyl phenylacetate (CAS 102-19-2) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl 2-phenylacetate
Also Known As: Isoamyl phenylacetate, Isopentyl phenylacetate, Isopentyl 2-phenylacetate, 3-Methylbutyl phenylacetate, Benzeneacetic acid, 3-methylbutyl ester
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13068 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 Da |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
| Boiling Point | 268.00 °C. @ 760.00 mm Hg |
| Density | 0.975-0.981 |
| Refractive Index | 1.483-1.490 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | CC(C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | QWBQBUWZZBUFHN-UHFFFAOYSA-N |
Chemical Property Profile of Isoamyl phenylacetate
Property Insights of Isoamyl phenylacetate
The XLogP value of 3.6 indicates that Isoamyl 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, Isoamyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl phenylacetate 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 Isoamyl phenylacetate?
The CAS number of Isoamyl phenylacetate is 102-19-2.
What is the molecular formula of Isoamyl phenylacetate?
The molecular formula of Isoamyl phenylacetate is C13H18O2.
What is the molecular weight of Isoamyl phenylacetate?
The molecular weight of Isoamyl phenylacetate is 206.13068 g/mol.
Where can I buy Isoamyl phenylacetate?
You can request a quote for Isoamyl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl phenylacetate?
Yes, CoreyChem provides custom synthesis services for Isoamyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.