Butyl phenylacetate
TL;DR: Butyl phenylacetate (CAS 122-43-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-phenylacetate
Also Known As: Butyl phenylacetate, butyl 2-phenylacetate, Benzeneacetic acid, butyl ester, n-Butyl phenylacetate, Butyl alpha-toluate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
| Boiling Point | 133.00 to 135.00 °C. @ 15.00 mm Hg |
| Density | 0.990-0.997 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.486-1.493 |
Chemical Identifiers
| CAS Number | 122-43-0 |
|---|---|
| SMILES | CCCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | LDOXTQYWWYXYSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl phenylacetate (CAS 122-43-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: butyl 2-phenylacetate.
Chemical Property Profile of Butyl phenylacetate
Property Insights of Butyl phenylacetate
The XLogP value of 3.2 indicates that Butyl 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, Butyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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
Frequently Asked Questions
What is the CAS number of Butyl phenylacetate?
The CAS number of Butyl phenylacetate is 122-43-0.
What is the molecular formula of Butyl phenylacetate?
The molecular formula of Butyl phenylacetate is C12H16O2.
What is the molecular weight of Butyl phenylacetate?
The molecular weight of Butyl phenylacetate is 192.12 g/mol.
Where can I buy Butyl phenylacetate?
You can request a quote for Butyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.