Tetrahydro-2H-pyran-2-one is an endogenously produced metabolite.

Physicochemical Properties

Molecular Formula	C5H8O2
Molecular Weight	100.12
Exact Mass	100.052
CAS #	542-28-9
Related CAS #	Tetrahydro-2H-pyran-2-one-d4;42932-61-6
PubChem CID	10953
Appearance	Colorless to light yellow liquid
Density	1.1±0.1 g/cm3
Boiling Point	218.0±8.0 °C at 760 mmHg
Melting Point	-13 °C
Flash Point	100.0±0.0 °C
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.440
LogP	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Complexity	78.1
Defined Atom Stereocenter Count	0
SMILES	C1CCOC(=O)C1
InChi Key	OZJPLYNZGCXSJM-UHFFFAOYSA-N
InChi Code	InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
Chemical Name	oxan-2-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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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]. "Lactones as inhibitors of the fibrinolytic system." Science 156.3779 (1967): 1244-1245.
Additional Infomation	5-valerolactone is the simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. It derives from a hydride of an oxane. delta-Valerolactone has been reported in Clerodendrum mandarinorum and Aspalathus linearis with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (998.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (24.97 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 (24.97 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	9.9880 mL	49.9401 mL	99.8801 mL
	5 mM	1.9976 mL	9.9880 mL	19.9760 mL
	10 mM	0.9988 mL	4.9940 mL	9.9880 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.