2,2-Dihydroxy-1-phenylethan-1-one (compound 2d) is an intermediate in pharmaceutical synthesis and has anti-oxidant effect.

Physicochemical Properties

Molecular Formula	C8H8O3
Molecular Weight	152.15
Exact Mass	152.047
CAS #	1075-06-5
PubChem CID	99611
Appearance	White to light yellow solid powder
Density	1.307 g/cm3
Boiling Point	142 °C125 mm Hg(lit.)
Melting Point	76-79 °C(lit.)
Flash Point	142°C/125mm
Vapour Pressure	0.00469mmHg at 25°C
Index of Refraction	1.59
LogP	1.003
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Complexity	136
Defined Atom Stereocenter Count	0
SMILES	C1=CC=C(C=C1)C(=O)C(O)O
InChi Key	NBIBDIKAOBCFJN-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,8,10-11H
Chemical Name	2,2-dihydroxy-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

References	[1]. Tania Kundu, et al. Expeditious and eco-friendly synthesis of new multifunctionalized pyrrole derivatives and evaluation of their antioxidant property. Bioorg Chem. 2020 May;98:103734.
Additional Infomation	See also: 2',3'-Dihydroxyacetophenone (annotation moved to).

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (1643.12 mM) H2O: 25 mg/mL (164.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (13.67 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 20.8 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: ≥ 2.08 mg/mL (13.67 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 20.8 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: ≥ 2.08 mg/mL (13.67 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 20 mg/mL (131.45 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.5725 mL	32.8623 mL	65.7246 mL
	5 mM	1.3145 mL	6.5725 mL	13.1449 mL
	10 mM	0.6572 mL	3.2862 mL	6.5725 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.