Guaiacyl acetate
TL;DR: Guaiacyl acetate (CAS 613-70-7) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) acetate
Also Known As: 2-Methoxyphenyl acetate, Guaiacol acetate, Guaiacyl acetate, o-Acetoxyanisole, Acetyl guaiacol
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| Melting Point | 31.5 °C |
| Boiling Point | 122.00 to 124.00 °C. @ 18.00 mm Hg |
| Density | 1.127-1.134 |
| Solubility | insoluble to slightly soluble in water |
| Refractive Index | 1.507-1.513 |
Chemical Identifiers
| CAS Number | 613-70-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1OC |
| InChIKey | BHJHPYFAYGAPLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiacyl acetate (CAS 613-70-7), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (2-methoxyphenyl) acetate.
Chemical Property Profile of Guaiacyl acetate
Property Insights of Guaiacyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Guaiacyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacyl 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
Frequently Asked Questions
What is the CAS number of Guaiacyl acetate?
The CAS number of Guaiacyl acetate is 613-70-7.
What is the molecular formula of Guaiacyl acetate?
The molecular formula of Guaiacyl acetate is C9H10O3.
What is the molecular weight of Guaiacyl acetate?
The molecular weight of Guaiacyl acetate is 166.06 g/mol.
Where can I buy Guaiacyl acetate?
You can request a quote for Guaiacyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.