Isoeugenol, acetate
TL;DR: Isoeugenol, acetate (CAS 93-29-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxy-4-prop-1-enylphenyl) acetate
Also Known As: Isoeugenyl acetate, Acetylisoeugenol, Isoeugenol acetate, Acetisoeugenol, Acetoisoeugenol
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| Solubility | Insoluble in water, soluble in oil |
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)C)OC |
| InChIKey | IUSBVFZKQJGVEP-UHFFFAOYSA-N |
Product Description
Applications: Isoeugenol, acetate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoeugenol, acetate (CAS 93-29-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isoeugenol, acetate is a pharmaceutical intermediate identified by CAS number 93-29-8 and the molecular formula C12H14O3 and a molecular weight of 206.09 g/mol. Physically, the compound has a solubility: Insoluble in water, soluble in oil. It is also known as Isoeugenyl acetate and Acetylisoeugenol.
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 Isoeugenol, acetate
Property Insights of Isoeugenol, acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoeugenol, acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Isoeugenol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoeugenol, acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoeugenol, acetate?
The CAS number of Isoeugenol, acetate is 93-29-8.
What is the molecular formula of Isoeugenol, acetate?
The molecular formula of Isoeugenol, acetate is C12H14O3.
What is the molecular weight of Isoeugenol, acetate?
The molecular weight of Isoeugenol, acetate is 206.0943 g/mol.
What are the applications of Isoeugenol, acetate?
Isoeugenol, acetate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isoeugenol, acetate (CAS 93-29-8) with custom synthesis available from...
Where can I buy Isoeugenol, acetate?
You can request a quote for Isoeugenol, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoeugenol, acetate?
Yes, CoreyChem provides custom synthesis services for Isoeugenol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.