Physicochemical Properties
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30188 |
| Exact Mass | 198.161 |
| CAS # | 2623-23-6 |
| Related CAS # | (+)-Menthyl acetate;5157-89-1 |
| PubChem CID | 27867 |
| Appearance | Colorless to off-white liquid |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 229.1±8.0 °C at 760 mmHg |
| Flash Point | 92.2±0.0 °C |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.448 |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 14 |
| Complexity | 199 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(C)C1CC[C@@H](C)CC1OC(=O)C |
| InChi Key | XHXUANMFYXWVNG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3 |
| Chemical Name | (5-methyl-2-propan-2-ylcyclohexyl) acetate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ADME/Pharmacokinetics |
Metabolism / Metabolites AS AN ESTER IT IS PRESUMABLY HYDROLYZED IN THE ALIMENTARY TRACT TO MENTHOL AND ACETIC ACID. |
| References |
[1]. Enhancement in skin permeation of 5-aminolevulinic acid using l-menthol and its derivatives.Drug Dev Ind Pharm. 2008 Jun;34(6):595-601. |
| Additional Infomation |
(+/-)-Menthyl acetate is a p-menthane monoterpenoid. Menthyl acetate has been reported in Mentha canadensis with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~504.29 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.0429 mL | 25.2143 mL | 50.4286 mL | |
| 5 mM | 1.0086 mL | 5.0429 mL | 10.0857 mL | |
| 10 mM | 0.5043 mL | 2.5214 mL | 5.0429 mL |