4-Hydroxy-4-methylcyclohexanone is a useful synthetic reagent. 4-Hydroxy-4-methylcyclohexanone may be utilized in the synthesis/preparation of trans-4-amino-1-methylcyclohexanol as an intermediate in the synthesis/preparation of active molecules.

Physicochemical Properties

Molecular Formula	C7H12O2
Molecular Weight	128.17
Exact Mass	128.084
CAS #	17429-02-6
PubChem CID	28539
Appearance	White to light yellow <36°C powder,>38°C liquid
Density	1.082g/cm3
Boiling Point	222.1ºC at 760 mmHg
Flash Point	89.3ºC
Vapour Pressure	0.0212mmHg at 25°C
Index of Refraction	1.486
LogP	0.88
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Complexity	119
Defined Atom Stereocenter Count	0
SMILES	CC1(CCC(=O)CC1)O
InChi Key	MACNVPBGMHPCML-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H12O2/c1-7(9)4-2-6(8)3-5-7/h9H,2-5H2,1H3
Chemical Name	4-hydroxy-4-methylcyclohexan-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

References

[1]. Method for producing trans-4-amino-1-methylcyclohexanols. JP2009022162A.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (780.21 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (19.51 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 (19.51 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 (19.51 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	7.8021 mL	39.0107 mL	78.0214 mL
	5 mM	1.5604 mL	7.8021 mL	15.6043 mL
	10 mM	0.7802 mL	3.9011 mL	7.8021 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.