Mesityl acetate
TL;DR: Mesityl acetate (CAS 19082-49-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethylphenyl) acetate
Also Known As: Mesityl acetate, Mesityl acetate #, 2-Acetoxymesitylene, Acetic acid mesityl ester, 2,4,6-trimethylphenyl acetate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 19082-49-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)OC(=O)C)C |
| InChIKey | KCLWUNIWBXUMQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesityl acetate (CAS 19082-49-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (2,4,6-trimethylphenyl) acetate.
Chemical Property Profile of Mesityl acetate
Property Insights of Mesityl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesityl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Mesityl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl 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
Frequently Asked Questions
What is the CAS number of Mesityl acetate?
The CAS number of Mesityl acetate is 19082-49-6.
What is the molecular formula of Mesityl acetate?
The molecular formula of Mesityl acetate is C11H14O2.
What is the molecular weight of Mesityl acetate?
The molecular weight of Mesityl acetate is 178.10 g/mol.
Where can I buy Mesityl acetate?
You can request a quote for Mesityl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesityl acetate?
Yes, KEHONG BIO provides custom synthesis services for Mesityl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.