3-Phenylallyl formate
TL;DR: 3-Phenylallyl formate (CAS 104-65-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl formate
Also Known As: Cinnamyl formate, 3-Phenylallyl formate, Cinnamyl alcohol, formate, 3-phenylprop-2-enyl formate, 3-phenylprop-2-en-1-yl formate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.06808 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.06808 Da |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| SMILES | C1=CC=C(C=C1)C=CCOC=O |
| InChIKey | LBHJXKYRYCUGPD-UHFFFAOYSA-N |
Product Description
Applications: 3-Phenylallyl formate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Phenylallyl formate (CAS 104-65-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A surfactant raw material supplied by CoreyChem, 3-Phenylallyl formate (CAS 104-65-4) has the molecular formula C10H10O2 and a molecular weight of 162.07 g/mol. It is also known as Cinnamyl formate and 3-Phenylallyl formate.
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 3-Phenylallyl formate
Property Insights of 3-Phenylallyl formate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylallyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylallyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylallyl formate 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 3-Phenylallyl formate?
The CAS number of 3-Phenylallyl formate is 104-65-4.
What is the molecular formula of 3-Phenylallyl formate?
The molecular formula of 3-Phenylallyl formate is C10H10O2.
What is the molecular weight of 3-Phenylallyl formate?
The molecular weight of 3-Phenylallyl formate is 162.06808 g/mol.
What are the applications of 3-Phenylallyl formate?
3-Phenylallyl formate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Phenylallyl formate (CAS 104-65-4) with custom synthesis available...
Where can I buy 3-Phenylallyl formate?
You can request a quote for 3-Phenylallyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylallyl formate?
Yes, CoreyChem provides custom synthesis services for 3-Phenylallyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.