Methyl phenylacetate
TL;DR: Methyl phenylacetate (CAS 101-41-7) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-phenylacetate
Also Known As: METHYL PHENYLACETATE, Methyl 2-phenylacetate, Methyl benzeneacetate, Benzeneacetic acid, methyl ester, Methyl alpha-toluate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Boiling Point | 215 °C |
| Density | 1.062 g/mL |
| Vapor Pressure | 0.16 [mmHg] |
| Refractive Index | Index of refraction: 1.503-1.509 |
| Solubility | Soluble in most organic solvents; 1:6 in 60% alcohol; insoluble in water, glycerin and propylene glycol. |
| SMILES | COC(=O)CC1=CC=CC=C1 |
| InChIKey | CRZQGDNQQAALAY-UHFFFAOYSA-N |
Product Description
Applications: Methyl phenylacetate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methyl phenylacetate (CAS 101-41-7) is a heterocyclic building block with the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Key physical properties include a density of 1.062 g/mL g/cm³, a solubility: Soluble in most organic solvents; 1:6 in 60% alcohol; insoluble in water, glycerin and propylene glycol. Synonyms include METHYL PHENYLACETATE and Methyl 2-phenylacetate.
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 Methyl phenylacetate
Property Insights of Methyl phenylacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl phenylacetate?
The CAS number of Methyl phenylacetate is 101-41-7.
What is the molecular formula of Methyl phenylacetate?
The molecular formula of Methyl phenylacetate is C9H10O2.
What is the molecular weight of Methyl phenylacetate?
The molecular weight of Methyl phenylacetate is 150.06808 g/mol.
What are the applications of Methyl phenylacetate?
Methyl phenylacetate 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. Available from CoreyChem as both catalog item and...
Where can I buy Methyl phenylacetate?
You can request a quote for Methyl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl phenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.