Butopyronoxyl is a mosquito repellent primarily used to repel mosquitoes.

Physicochemical Properties

Molecular Formula	C12H18O4
Molecular Weight	226.27
Exact Mass	226.121
CAS #	532-34-3
PubChem CID	10760
Appearance	Colorless to light yellow liquid
Density	1.054 g/mL at 25ºC(lit.)
Boiling Point	272.1ºC at 760 mmHg
Melting Point	25°C
Flash Point	112.7ºC
Index of Refraction	n20/D 1.477(lit.)
LogP	1.981
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Complexity	315
Defined Atom Stereocenter Count	0
SMILES	CCCCOC(=O)C1=CC(=O)CC(C)(C)O1
InChi Key	OKIJSNGRQAOIGZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
Chemical Name	butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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

ln Vitro	It is true that indalone lessens A's appeal. variegatum to the pheromone, causing A to become repulsed. variegatum in the air stream when it is exhibited alone[1].
Toxicity/Toxicokinetics	Non-Human Toxicity Values LD50 Rat oral 7400 mg/kg LD50 Mouse oral 11,600 mg/kg LD50 Rabbit oral 5400 mg/kg LD50 Guinea pig oral 3200 mg/kg
References	[1]. In vitro assays for repellents and deterrents for ticks: differing effects of products when tested with attractant or arrestment stimuli. Med Vet Entomol. 2003 Dec;17(4):370-8. [2]. Evaluation of the laboratory mouse model for screening topical mosquito repellents. J Am Mosq Control Assoc. 1994 Dec;10(4):565-71.
Additional Infomation	Butopyronoxyl is a member of pyrans and a carbonyl compound.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (441.95 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.05 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 (11.05 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 (11.05 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	4.4195 mL	22.0975 mL	44.1950 mL
	5 mM	0.8839 mL	4.4195 mL	8.8390 mL
	10 mM	0.4419 mL	2.2097 mL	4.4195 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.