Menthyl acetate
TL;DR: Menthyl acetate (CAS 16409-45-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) acetate
Also Known As: Menthyl acetate, L-Menthyl acetate, Menthol, acetate, dl-Menthyl acetate, Menthyl acetate racemic
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| Boiling Point | 227 °C |
| Density | dl-, (-)- 0.919-0.924 |
| Solubility | soluble in alcohol, propylene glycol, most fixed oils; slightly soluble in water, glycerol |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | SOLUBLE IN ESSENTIAL OILS; 1:15 IN 65% ALCOHOL; 1:6 IN 70% ALCOHOL; 1:1 IN 80% ALCOHOL; 1.4440-1.4500 (1.4472) AT 20 °C /L-ISOMER/ |
Chemical Identifiers
| CAS Number | 16409-45-3 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C)C(C)C |
| InChIKey | XHXUANMFYXWVNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Menthyl acetate (CAS 16409-45-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) acetate.
Chemical Property Profile of Menthyl acetate
Property Insights of Menthyl acetate
The XLogP value of 3.6 indicates that Menthyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Menthyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Menthyl 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 Menthyl acetate?
The CAS number of Menthyl acetate is 16409-45-3.
What is the molecular formula of Menthyl acetate?
The molecular formula of Menthyl acetate is C12H22O2.
What is the molecular weight of Menthyl acetate?
The molecular weight of Menthyl acetate is 198.16 g/mol.
Where can I buy Menthyl acetate?
You can request a quote for Menthyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Menthyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Menthyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.