2-Phenylethyl Acetate
TL;DR: 2-Phenylethyl Acetate (CAS 103-45-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl acetate
Also Known As: Phenethyl acetate, 2-Phenylethyl acetate, 2-Phenethyl acetate, Benzylcarbinyl acetate, beta-Phenylethyl acetate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Melting Point | -31.1 °C |
| Boiling Point | 238.00 to 239.00 °C. @ 760.00 mm Hg |
| Density | 1.030-1.034 |
| Refractive Index | 1.496-1.502 |
| Solubility | Insoluble in water; soluble in oils, propylene glycol |
| SMILES | CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
Product Description
Applications: 2-Phenylethyl Acetate 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. CoreyChem supplies 2-Phenylethyl Acetate (CAS 103-45-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2-Phenylethyl Acetate (CAS 103-45-7) has the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Reported properties include a density of 1.030-1.034 g/cm³, a solubility: Insoluble in water; soluble in oils, propylene glycol. It is also known as Phenethyl acetate and 2-Phenylethyl acetate.
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 2-Phenylethyl Acetate
Property Insights of 2-Phenylethyl Acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl Acetate 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 2-Phenylethyl Acetate?
The CAS number of 2-Phenylethyl Acetate is 103-45-7.
What is the molecular formula of 2-Phenylethyl Acetate?
The molecular formula of 2-Phenylethyl Acetate is C10H12O2.
What is the molecular weight of 2-Phenylethyl Acetate?
The molecular weight of 2-Phenylethyl Acetate is 164.08372 g/mol.
What are the applications of 2-Phenylethyl Acetate?
2-Phenylethyl Acetate 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. CoreyChem supplies 2-Phenylethyl Acetate (CAS...
Where can I buy 2-Phenylethyl Acetate?
You can request a quote for 2-Phenylethyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylethyl Acetate?
Yes, CoreyChem provides custom synthesis services for 2-Phenylethyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.