Benzyl butyrate
TL;DR: Benzyl butyrate (CAS 103-37-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
丁酸苄酯
benzyl butanoate
Also Known As: Benzyl butyrate, Benzyl butanoate, Benzyl n-butyrate, Phenylmethyl butanoate, Benzyl n-butanoate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Melting Point | 21.00 °C. @ 760.00 mm Hg |
| Boiling Point | 238.00 to 240.00 °C. @ 760.00 mm Hg |
| Density | 1.005-1.012 |
| Refractive Index | 1.490-1.500 |
| Solubility | insoluble in water, glycols, glycerol; soluble in organic solvents, oils |
| SMILES | CCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | VONGZNXBKCOUHB-UHFFFAOYSA-N |
Product Description
Applications: Benzyl butyrate 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 Benzyl butyrate (CAS 103-37-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzyl butyrate is a pharmaceutical intermediate identified by CAS number 103-37-7 and the molecular formula C11H14O2 and a molecular weight of 178.1 g/mol. Physically, the compound has a density of 1.005-1.012 g/cm³, a solubility: insoluble in water, glycols, glycerol; soluble in organic solvents, oils. It is also known as Benzyl butyrate and Benzyl butanoate.
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 butyrate
Property Insights of Benzyl butyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl butyrate 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 butyrate?
The CAS number of Benzyl butyrate is 103-37-7.
What is the molecular formula of Benzyl butyrate?
The molecular formula of Benzyl butyrate is C11H14O2.
What is the molecular weight of Benzyl butyrate?
The molecular weight of Benzyl butyrate is 178.09938 g/mol.
What are the applications of Benzyl butyrate?
Benzyl butyrate 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 Benzyl butyrate (CAS 103-37-7) with custom synthesis available from...
Where can I buy Benzyl butyrate?
You can request a quote for Benzyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl butyrate?
Yes, CoreyChem provides custom synthesis services for Benzyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.