o-Cresyl acetate
TL;DR: o-Cresyl acetate (CAS 533-18-6) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methylphenyl) acetate
Also Known As: o-Tolyl acetate, o-Cresyl acetate, o-Cresol acetate, 2-Methylphenyl acetate, Acetyl-o-cresol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| Boiling Point | 208.00 °C. @ 760.00 mm Hg |
| Density | 1.046-1.053 |
| Refractive Index | 1.497-1.503 |
| Solubility | insoluble in water |
| SMILES | CC1=CC=CC=C1OC(=O)C |
| InChIKey | AMZORBZSQRUXNC-UHFFFAOYSA-N |
Product Description
Applications: o-Cresyl acetate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies o-Cresyl acetate (CAS 533-18-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
o-Cresyl acetate (CAS 533-18-6) is a organic building block with the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Key physical properties include a density of 1.046-1.053 g/cm³, a solubility: insoluble in water. It is also known as o-Tolyl acetate and o-Cresyl 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 o-Cresyl acetate
Property Insights of o-Cresyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Cresyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, o-Cresyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresyl 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 o-Cresyl acetate?
The CAS number of o-Cresyl acetate is 533-18-6.
What is the molecular formula of o-Cresyl acetate?
The molecular formula of o-Cresyl acetate is C9H10O2.
What is the molecular weight of o-Cresyl acetate?
The molecular weight of o-Cresyl acetate is 150.06808 g/mol.
What are the applications of o-Cresyl acetate?
o-Cresyl acetate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies o-Cresyl acetate...
Where can I buy o-Cresyl acetate?
You can request a quote for o-Cresyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Cresyl acetate?
Yes, CoreyChem provides custom synthesis services for o-Cresyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.