2'-Hydroxy-4'-methylacetophenone is a phenolic compound extracted from the roots of Angelicae koreana. It has acaricidal activity and may be utilized to prepare 4'-methyl-2'-[(p-tolylsulfonyl) oxy] acetophenone.

Physicochemical Properties

Molecular Formula	C9H10O2
Molecular Weight	150.1745
Exact Mass	150.068
CAS #	6921-64-8
PubChem CID	81338
Appearance	Colorless to light yellow liquid
Density	1.08 g/mL at 25 °C(lit.)
Boiling Point	245 °C(lit.)
Melting Point	45-48ºC
Flash Point	>230 °F
Index of Refraction	n20/D 1.565(lit.)
LogP	1.903
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Complexity	154
Defined Atom Stereocenter Count	0
SMILES	O([H])C1C([H])=C(C([H])([H])[H])C([H])=C([H])C=1C(C([H])([H])[H])=O
InChi Key	LYKDOWJROLHYOT-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3
Chemical Name	1-(2-hydroxy-4-methylphenyl)ethanone
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]. Acaricidal toxicity of 2'-hydroxy-4'-methylacetophenone isolated from Angelicae koreana roots and structure-activity relationships of its derivatives. J Agric Food Chem. 2012 Apr 11;60(14):3606-11. [2]. 4'-Hydroxy-3-methoxyflavones with potent antipicornavirus activity. J Med Chem. 1991 Feb;34(2):736-46.
Additional Infomation	2'-Hydroxy-4'-methylacetophenone has been reported in Eupatorium fortunei and Angelica pubescens with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~665.91 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (16.65 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 (16.65 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 (16.65 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	6.6591 mL	33.2956 mL	66.5912 mL
	5 mM	1.3318 mL	6.6591 mL	13.3182 mL
	10 mM	0.6659 mL	3.3296 mL	6.6591 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.