Benzyl isovalerate
TL;DR: Benzyl isovalerate (CAS 103-38-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-methylbutanoate
Also Known As: Benzyl isovalerate, Benzyl 3-methylbutanoate, Benzyl isopentanoate, benzylisovalerate, Benzyl isovalerianate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| Boiling Point | 116.00 °C. @ 9.00 mm Hg |
| Density | 0.981-0.989 |
| Refractive Index | 1.482-1.490 |
| Solubility | insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils |
| SMILES | CC(C)CC(=O)OCC1=CC=CC=C1 |
| InChIKey | HVJKZICIMIWFCP-UHFFFAOYSA-N |
Product Description
Applications: Benzyl 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Benzyl isovalerate (CAS 103-38-8) has the molecular formula C12H16O2 and a molecular weight of 192.12 g/mol. Reported properties include a density of 0.981-0.989 g/cm³, a solubility: insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils. Synonyms include Benzyl isovalerate and Benzyl 3-methylbutanoate.
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 Benzyl isovalerate
Property Insights of Benzyl isovalerate
The XLogP value of 3.3 indicates that Benzyl 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, Benzyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl isovalerate?
The CAS number of Benzyl isovalerate is 103-38-8.
What is the molecular formula of Benzyl isovalerate?
The molecular formula of Benzyl isovalerate is C12H16O2.
What is the molecular weight of Benzyl isovalerate?
The molecular weight of Benzyl isovalerate is 192.11504 g/mol.
What are the applications of Benzyl isovalerate?
Benzyl 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Benzyl isovalerate?
You can request a quote for Benzyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Benzyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.