Rosacetol
TL;DR: Rosacetol (CAS 90-17-5) is a chemical compound with molecular formula C10H9Cl3O2 and molecular weight 265.96683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2,2-trichloro-1-phenylethyl) acetate
Also Known As: Rosacetol, 2,2,2-Trichloro-1-phenylethyl acetate, Rose crystals, Rosephenone, Rosetone
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9Cl3O2 |
| Molecular Weight | 265.96683 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.96683 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl |
| InChIKey | JKRWZLOCPLZZEI-UHFFFAOYSA-N |
Product Description
Applications: Rosacetol 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 Rosacetol (CAS 90-17-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Rosacetol (CAS 90-17-5) is a pharmaceutical intermediate with the molecular formula C10H9Cl3O2 and a molecular weight of 265.97 g/mol. It is also known as Rosacetol and 2,2,2-Trichloro-1-phenylethyl 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 Rosacetol
Property Insights of Rosacetol
The XLogP value of 3.5 indicates that Rosacetol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Rosacetol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rosacetol 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 Rosacetol?
The CAS number of Rosacetol is 90-17-5.
What is the molecular formula of Rosacetol?
The molecular formula of Rosacetol is C10H9Cl3O2.
What is the molecular weight of Rosacetol?
The molecular weight of Rosacetol is 265.96683 g/mol.
What are the applications of Rosacetol?
Rosacetol 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 Rosacetol (CAS 90-17-5) with custom synthesis available from milligram to...
Where can I buy Rosacetol?
You can request a quote for Rosacetol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rosacetol?
Yes, CoreyChem provides custom synthesis services for Rosacetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.