2-Hydroxyacetophenone is the major root volatile of Carissa edulis. 2-Hydroxyacetophenone has an inhibitory effect on HIV/SARS-CoV S pseudovirus infection with IC50 of 1.8 mM.

Physicochemical Properties

Molecular Formula	C8H8O2
Molecular Weight	136.15
Exact Mass	136.052
CAS #	582-24-1
PubChem CID	68490
Appearance	Off-white to light yellow solid powder
Density	1.1±0.1 g/cm3
Boiling Point	244.6±13.0 °C at 760 mmHg
Melting Point	86-89 °C(lit.)
Flash Point	100.4±12.4 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.551
LogP	0.44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Complexity	114
Defined Atom Stereocenter Count	0
InChi Key	ZWVHTXAYIKBMEE-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
Chemical Name	2-hydroxy-1-phenylethanone
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

Targets	HIV
References	[1]. 2-Hydroxyacetophenone: principal root volatile of the East African medicinal plant, Carissa edulis. J Nat Prod. Nov-Dec 1984;47(6):1056-7. [2]. Procyanidins and butanol extract of Cinnamomi Cortex inhibit SARS-CoV infection. Antiviral Res. 2009 Apr;82(1):73-81.
Additional Infomation	2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy ketone and a monohydroxyacetophenone. 2-Hydroxyacetophenone has been reported in Carissa spinarum, Scutellaria baicalensis, and Carissa edulis with data available.

Solubility Data

Solubility (In Vitro)

DMSO : 12.5 mg/mL (91.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 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 (18.36 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 (18.36 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	7.3448 mL	36.7242 mL	73.4484 mL
	5 mM	1.4690 mL	7.3448 mL	14.6897 mL
	10 mM	0.7345 mL	3.6724 mL	7.3448 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.