Physicochemical Properties
Molecular Formula | C10H18O |
Molecular Weight | 154.24932 |
Exact Mass | 154.135 |
CAS # | 10458-14-7 |
PubChem CID | 6986 |
Appearance | Colorless to light yellow liquid |
Density | 0.9±0.1 g/cm3 |
Boiling Point | 205.0±0.0 °C at 760 mmHg |
Melting Point | -6 °C |
Flash Point | 72.8±0.0 °C |
Vapour Pressure | 0.3±0.4 mmHg at 25°C |
Index of Refraction | 1.443 |
LogP | 2.63 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Heavy Atom Count | 11 |
Complexity | 149 |
Defined Atom Stereocenter Count | 0 |
SMILES | O=C1C(C(C)C)CCC(C)C1 |
InChi Key | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
InChi Code | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
Chemical Name | 5-methyl-2-propan-2-ylcyclohexan-1-one |
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 ...KETONES (EG CARVONE & MENTHONE) ARE REDUCED TO SECONDARY ALCOHOLS WHICH ARE THEN EXCRETED AS GLUCURONIDES. MENTHONE, ASYMMETRIC REDUCTION /TO/ NEO-MENTHOL, GLUCURONIDE CONJUGATION /TO/ MENTHYL GLUCURONIDE. |
Toxicity/Toxicokinetics |
Non-Human Toxicity Values LD50 Oral rat 500 mg/kg LD50 Mouse sc 2180 mg/kg |
References |
[1]. A Natural Plant Ingredient, Menthone, Regulates T Cell Subtypes and Lowers Pro-inflammatory Cytokines of Rheumatoid Arthritis. J Nat Prod. 2022 Apr 22;85(4):1109-1117. [2]. Anti-Inflammatory Properties of Menthol and Menthone in Schistosoma mansoni Infection. Front Pharmacol. 2016 Jun 17;7:170. [3]. Menthone supplementation protects from allergic inflammation in the lungs of asthmatic mice. Eur J Pharmacol. 2022 Sep 15;931:175222. [4]. Menthone inhibits type-I interferon signaling by promoting Tyk2 ubiquitination to relieve local inflammation of rheumatoid arthritis. Int Immunopharmacol. 2022 Nov;112:109228. |
Additional Infomation |
P-menthan-3-one is a p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3. It has a role as a plant metabolite and a volatile oil component. p-Menthan-3-one has been reported in Osmanthus fragrans, Nepeta tenuifolia, and other organisms with data available. See also: Menthone, (+/-)- (annotation moved to). |
Solubility Data
Solubility (In Vitro) | DMSO: 100 mg/mL (648.30 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.21 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 (16.21 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 (16.21 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 | 6.4830 mL | 32.4149 mL | 64.8298 mL | |
5 mM | 1.2966 mL | 6.4830 mL | 12.9660 mL | |
10 mM | 0.6483 mL | 3.2415 mL | 6.4830 mL |