Butanoic acid 3-phenyl-2-propenyl ester
TL;DR: Butanoic acid 3-phenyl-2-propenyl ester (CAS 103-61-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl butanoate
Also Known As: Cinnamyl butyrate, Cinnamyl butanoate, Cinnamyl n-butyrate, (E)-cinnamyl butyrate, 3-Phenylallyl butyrate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| SMILES | CCCC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | YZYPQKZWNXANRB-UHFFFAOYSA-N |
Product Description
Applications: Butanoic acid 3-phenyl-2-propenyl ester is used in pharmaceutical synthesis routes and API production, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Butanoic acid 3-phenyl-2-propenyl ester (CAS 103-61-7) is a pharmaceutical intermediate with the molecular formula C13H16O2 and a molecular weight of 204.12 g/mol. Synonyms include Cinnamyl butyrate and Cinnamyl 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 Butanoic acid 3-phenyl-2-propenyl ester
Property Insights of Butanoic acid 3-phenyl-2-propenyl ester
The XLogP value of 3.1 indicates that Butanoic acid 3-phenyl-2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid 3-phenyl-2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid 3-phenyl-2-propenyl ester 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 Butanoic acid 3-phenyl-2-propenyl ester?
The CAS number of Butanoic acid 3-phenyl-2-propenyl ester is 103-61-7.
What is the molecular formula of Butanoic acid 3-phenyl-2-propenyl ester?
The molecular formula of Butanoic acid 3-phenyl-2-propenyl ester is C13H16O2.
What is the molecular weight of Butanoic acid 3-phenyl-2-propenyl ester?
The molecular weight of Butanoic acid 3-phenyl-2-propenyl ester is 204.11504 g/mol.
What are the applications of Butanoic acid 3-phenyl-2-propenyl ester?
Butanoic acid 3-phenyl-2-propenyl ester is used in pharmaceutical synthesis routes and API production, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Butanoic acid 3-phenyl-2-propenyl ester?
You can request a quote for Butanoic acid 3-phenyl-2-propenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid 3-phenyl-2-propenyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid 3-phenyl-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.