Benzyl acetate
TL;DR: Benzyl acetate (CAS 140-11-4) 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.
benzyl acetate
Also Known As: BENZYL ACETATE, Benzyl ethanoate, Phenylmethyl acetate, Acetic acid benzyl ester, benzylacetate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.0 |
| 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 |
| Melting Point | -60.7 °F (NTP, 1992) |
| Boiling Point | 419.9 °F at 760 mmHg (NTP, 1992) |
| Density | 1.04 (USCG, 1999) - Denser than water; will sink |
| Flash Point | 195 °F (NFPA, 2010) |
| Vapor Pressure | 1 mmHg at 113 °F ; 10 mmHg at 189.7 °F (NTP, 1992) |
| Refractive Index | INDICES OF REFRACTION: 1.5232 @ 20 °C/D; 1.4998 @ 25 °C/D |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CC(=O)OCC1=CC=CC=C1 |
| InChIKey | QUKGYYKBILRGFE-UHFFFAOYSA-N |
Product Description
Applications: Benzyl acetate is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzyl acetate (CAS 140-11-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzyl acetate is a organic building block identified by CAS number 140-11-4 and the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Physically, the compound has a density of 1.04 (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). It is also known as BENZYL ACETATE and Benzyl ethanoate.
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 acetate
Property Insights of Benzyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl acetate 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 acetate?
The CAS number of Benzyl acetate is 140-11-4.
What is the molecular formula of Benzyl acetate?
The molecular formula of Benzyl acetate is C9H10O2.
What is the molecular weight of Benzyl acetate?
The molecular weight of Benzyl acetate is 150.06808 g/mol.
What are the applications of Benzyl acetate?
Benzyl acetate is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzyl acetate (CAS 140-11-4) with custom...
Where can I buy Benzyl acetate?
You can request a quote for Benzyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl acetate?
Yes, CoreyChem provides custom synthesis services for Benzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.