3-Phenyl-2-propen-1-yl acetate
TL;DR: 3-Phenyl-2-propen-1-yl acetate (CAS 103-54-8) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl acetate
Also Known As: Cinnamyl acetate, 3-Phenylallyl acetate, Acetic acid cinnamyl ester, CINNAMYLCETATE, 3-PhenylallylAcetate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| SMILES | CC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | WJSDHUCWMSHDCR-UHFFFAOYSA-N |
Product Description
Applications: 3-Phenyl-2-propen-1-yl acetate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Phenyl-2-propen-1-yl acetate (CAS 103-54-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Phenyl-2-propen-1-yl acetate is a pharmaceutical intermediate identified by CAS number 103-54-8 and the molecular formula C11H12O2 and a molecular weight of 176.08 g/mol. It is also known as Cinnamyl acetate and 3-Phenylallyl acetate.
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-Phenyl-2-propen-1-yl acetate
Property Insights of 3-Phenyl-2-propen-1-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-propen-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenyl-2-propen-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-propen-1-yl 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 3-Phenyl-2-propen-1-yl acetate?
The CAS number of 3-Phenyl-2-propen-1-yl acetate is 103-54-8.
What is the molecular formula of 3-Phenyl-2-propen-1-yl acetate?
The molecular formula of 3-Phenyl-2-propen-1-yl acetate is C11H12O2.
What is the molecular weight of 3-Phenyl-2-propen-1-yl acetate?
The molecular weight of 3-Phenyl-2-propen-1-yl acetate is 176.08372 g/mol.
What are the applications of 3-Phenyl-2-propen-1-yl acetate?
3-Phenyl-2-propen-1-yl acetate is used in pharmaceutical synthesis routes and API production, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Phenyl-2-propen-1-yl acetate (CAS...
Where can I buy 3-Phenyl-2-propen-1-yl acetate?
You can request a quote for 3-Phenyl-2-propen-1-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-2-propen-1-yl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-2-propen-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.