Meptyldinocap (also known as 2,4-DNOPC) is a novel and potent powdery mildew (Erysiphe necator) fungicide which shows protectant and post-infective activities.

Physicochemical Properties

Molecular Formula	C18H24N2O6
Molecular Weight	364.4
Exact Mass	364.163
CAS #	131-72-6
PubChem CID	5284389
Appearance	Typically exists as solid at room temperature
Density	1.175 g/cm3
Boiling Point	473.7ºC at 760 mmHg
Flash Point	173.9ºC
Vapour Pressure	3.85E-09mmHg at 25°C
Index of Refraction	1.54
LogP	6.104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	26
Complexity	511
Defined Atom Stereocenter Count	0
SMILES	C/C=C/C(OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1C(C)CCCCCC)=O
InChi Key	NIOPZPCMRQGZCE-WEVVVXLNSA-N
InChi Code	InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
Chemical Name	(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
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]. Analytical method for the determination of meptyldinocap as the 2,4-dinitro-octylphenol metabolite in cucumber and soil using LC-MS/MS and a study of the residues in a Chinese cucumber field ecosystem. Pest Manag Sci. 2014 Jan;70(1):97-102
Additional Infomation	Dinocap can cause developmental toxicity according to state or federal government labeling requirements. 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate is an enoate ester obtained by formal condensation of the carboxy group of 3-methylacrylic acid with the phenolic hydroxy group of 2,4-dinitro-6-(octan-2-yl)phenol. It is a C-nitro compound and an enoate ester.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 150 mg/mL (~411.65 mM) Ethanol : ~100 mg/mL (~274.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.86 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 (6.86 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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	2.7442 mL	13.7212 mL	27.4424 mL
	5 mM	0.5488 mL	2.7442 mL	5.4885 mL
	10 mM	0.2744 mL	1.3721 mL	2.7442 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.