Ethyl phenylglyoxylate (Ethyl benzoylformate; Phenylglyoxylic acid ethyl ester) is the ethyl ester of phenylglyoxylic acid, used as a synthetic reagent.

Physicochemical Properties

Molecular Formula	C10H10O3
Molecular Weight	178.18
Exact Mass	178.062
CAS #	1603-79-8
PubChem CID	15349
Appearance	Colorless to light yellow liquid（Density：1.122 g/cm3）
Density	1.1±0.1 g/cm3
Boiling Point	256.5±0.0 °C at 760 mmHg
Melting Point	97ºC
Flash Point	111.4±15.9 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.513
LogP	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Complexity	192
Defined Atom Stereocenter Count	0
SMILES	CCOC(=O)C(=O)C1=CC=CC=C1
InChi Key	QKLCQKPAECHXCQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
Chemical Name	ethyl 2-oxo-2-phenylacetate
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]. Photochemically Active Polymers Containing Pendant Ethyl Phenylglyoxylate. Macromolecules 1998, 31, 2, 322–327.
Additional Infomation	Ethyl phenylglyoxylate is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to a phenylglyoxylic acid.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (561.23 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (14.03 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 (14.03 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 (14.03 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	5.6123 mL	28.0615 mL	56.1230 mL
	5 mM	1.1225 mL	5.6123 mL	11.2246 mL
	10 mM	0.5612 mL	2.8062 mL	5.6123 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.