Phenylethyl isovalerate
TL;DR: Phenylethyl isovalerate (CAS 140-26-1) 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.
2-phenylethyl 3-methylbutanoate
Also Known As: Phenethyl isovalerate, Phenylethyl isovalerate, 2-Phenylethyl 3-methylbutanoate, 2-Phenylethyl isovalerate, phenethyl 3-methylbutanoate
Application Areas
Top 5 of 10 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 | 263.00 to 264.00 °C. @ 760.00 mm Hg |
| Density | 0.973-0.976 |
| Refractive Index | 1.482-1.487 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | CC(C)CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
Product Description
Applications: Phenylethyl isovalerate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenylethyl isovalerate (CAS 140-26-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Phenylethyl isovalerate (CAS 140-26-1) has the molecular formula C13H18O2 and a molecular weight of 206.13 g/mol. Reported properties include a density of 0.973-0.976 g/cm³, a solubility: Insoluble in water; soluble in oils. It is also known as Phenethyl isovalerate and Phenylethyl isovalerate.
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 Phenylethyl isovalerate
Property Insights of Phenylethyl isovalerate
The XLogP value of 3.6 indicates that Phenylethyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylethyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethyl isovalerate 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 Phenylethyl isovalerate?
The CAS number of Phenylethyl isovalerate is 140-26-1.
What is the molecular formula of Phenylethyl isovalerate?
The molecular formula of Phenylethyl isovalerate is C13H18O2.
What is the molecular weight of Phenylethyl isovalerate?
The molecular weight of Phenylethyl isovalerate is 206.13068 g/mol.
What are the applications of Phenylethyl isovalerate?
Phenylethyl isovalerate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenylethyl isovalerate (CAS 140-26-1) with custom synthesis...
Where can I buy Phenylethyl isovalerate?
You can request a quote for Phenylethyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylethyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Phenylethyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.