4′-Hydroxy-2′-methylacetophenone is a red wine aroma compound extracted from the cv. Bobal grape variety. 4′-Hydroxy-2′-methylacetophenone is ciliate toxic. 4′-Hydroxy-2′-methylacetophenone suppresses the growth of T. pyriformis with IC50 of 0.65 mM.

Physicochemical Properties

Molecular Formula	C9H10O2
Molecular Weight	150.18
Exact Mass	150.068
CAS #	875-59-2
PubChem CID	70133
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	313.0±0.0 °C at 760 mmHg
Melting Point	129-131 °C(lit.)
Flash Point	127.9±14.9 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.546
LogP	1.88
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
InChi Key	IAMNVCJECQWBLZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
Chemical Name	1-(4-hydroxy-2-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]. Aroma characterization of red wines from cv. Bobal grape variety grown in La Mancha region. Food Research International. 2011 Jan; 44(1): 61-70. [2]. Stepwise discrimination between four modes of toxic action of phenols in the Tetrahymena pyriformis assay. Chem Res Toxicol. 2003 Aug;16(8):974-87.
Additional Infomation	4-hydroxy-2-methylacetophenone is a member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively. It has a role as a metabolite. It is a member of acetophenones and a member of phenols.

Solubility Data

Solubility (In Vitro)

DMSO : 5 mg/mL (33.29 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.5 mg/mL (3.33 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 5.0 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: ≥ 0.5 mg/mL (3.33 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 5.0 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: ≥ 0.5 mg/mL (3.33 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 5.0 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	6.6587 mL	33.2934 mL	66.5868 mL
	5 mM	1.3317 mL	6.6587 mL	13.3174 mL
	10 mM	0.6659 mL	3.3293 mL	6.6587 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.