(+)-Menthyl acetate
TL;DR: (+)-Menthyl acetate (CAS 5157-89-1) 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.
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Also Known As: (+)-menthyl acetate, Menthyl acetate, menthol acetate, d-menthyl acetate, (1S)-(+)-Menthyl acetate
| 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 |
| Melting Point | 228 - 229 °C |
| Boiling Point | 228.00 to 229.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 5157-89-1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C)C(C)C |
| InChIKey | XHXUANMFYXWVNG-WCQGTBRESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Menthyl acetate (CAS 5157-89-1), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(1S,2R,5S)-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 5157-89-1.
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.