3,4-Xylyl acetate
TL;DR: 3,4-Xylyl acetate (CAS 22618-23-1) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dimethylphenyl) acetate
Also Known As: 3,4-Xylyl acetate, 3,4-Dimethylphenyl acetate, (3,4-dimethylphenyl) acetate, Phenol, 3,4-dimethyl-, acetate, 4-ACETOXY-O-XYLENE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CC1=C(C=C(C=C1)OC(=O)C)C |
| InChIKey | ZFIOOTIKKICLOR-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Xylyl acetate
Property Insights of 3,4-Xylyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Xylyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Xylyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Xylyl 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 3,4-Xylyl acetate?
The CAS number of 3,4-Xylyl acetate is 22618-23-1.
What is the molecular formula of 3,4-Xylyl acetate?
The molecular formula of 3,4-Xylyl acetate is C10H12O2.
What is the molecular weight of 3,4-Xylyl acetate?
The molecular weight of 3,4-Xylyl acetate is 164.08372 g/mol.
Where can I buy 3,4-Xylyl acetate?
You can request a quote for 3,4-Xylyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Xylyl acetate?
Yes, CoreyChem provides custom synthesis services for 3,4-Xylyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.