2,5-Dimethyl-3(2H)-furanone is a non-genotoxic flavoring substance.

Physicochemical Properties

Molecular Formula	C6H8O2
Molecular Weight	112.13
Exact Mass	112.052
CAS #	14400-67-0
PubChem CID	85730
Appearance	Colorless to light yellow liquid（Density：1.06 g/cm3）
Density	1.0±0.1 g/cm3
Boiling Point	169.4±20.0 °C at 760 mmHg
Flash Point	60.9±15.3 °C
Vapour Pressure	1.5±0.3 mmHg at 25°C
Index of Refraction	1.455
LogP	0.33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Complexity	147
Defined Atom Stereocenter Count	0
SMILES	CC1=CC(=O)C(C)O1
InChi Key	ASOSVCXGWPDUGN-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
Chemical Name	2,5-dimethylfuran-3-one
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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). This product is not stable in solution, please use freshly prepared working solution for optimal results.
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]. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids. Scientific Opinion on Flavouring Group Evaluation 220 Revision 3 (FGE.220Rev3): Consideration of genotoxic potential for α,β-unsaturated 3(2H)-Furanones from subgroup 4.4 of F
Additional Infomation	2,5-Dimethyl-3(2H)-furanone is a member of oxolanes.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (891.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (22.30 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 (22.30 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	8.9182 mL	44.5911 mL	89.1822 mL
	5 mM	1.7836 mL	8.9182 mL	17.8364 mL
	10 mM	0.8918 mL	4.4591 mL	8.9182 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.