Butyl Benzoate
TL;DR: Butyl Benzoate (CAS 136-60-7) 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.
butyl benzoate
Also Known As: BUTYL BENZOATE, n-Butyl benzoate, Anthrapole AZ, Benzoic acid, butyl ester, Butylbenzoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 3.8 |
| 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 | -22 °C |
| Boiling Point | 250 °C |
| Density | 1.00 @ 20 °C |
| Flash Point | 225 °F (107 °C) (OPEN CUP) |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4940 @ 25 °C/D |
| Solubility | PRACTICALLY INSOL IN WATER |
| SMILES | CCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
Product Description
Applications: Butyl Benzoate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl Benzoate (CAS 136-60-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butyl Benzoate (CAS 136-60-7) is a polymer intermediate with the molecular formula C11H14O2 and a molecular weight of 178.1 g/mol. Key physical properties include a density of 1.00 @ 20 °C g/cm³, a solubility: PRACTICALLY INSOL IN WATER. It is also known as BUTYL BENZOATE and n-Butyl benzoate.
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 Butyl Benzoate
Property Insights of Butyl Benzoate
The XLogP value of 3.8 indicates that Butyl Benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl Benzoate 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 Butyl Benzoate?
The CAS number of Butyl Benzoate is 136-60-7.
What is the molecular formula of Butyl Benzoate?
The molecular formula of Butyl Benzoate is C11H14O2.
What is the molecular weight of Butyl Benzoate?
The molecular weight of Butyl Benzoate is 178.09938 g/mol.
What are the applications of Butyl Benzoate?
Butyl Benzoate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl Benzoate (CAS 136-60-7) with custom synthesis available...
Where can I buy Butyl Benzoate?
You can request a quote for Butyl Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl Benzoate?
Yes, CoreyChem provides custom synthesis services for Butyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.