Propanoic acid,2-(2,4-dichlorophenoxy)-, 2-ethylhexyl ester (79270-78-3)

The 2-Ethylhexyl 2-(2,4-dichlorophenoxy)propionate with the cas number 79270-78-3 is also called Propanoic acid,2-(2,4-dichlorophenoxy)-, 2-ethylhexyl ester. Its EINECS registry number is 279-123-9. The molecular formula is C₁₇H₂₄Cl₂O₃. It should be stored at 0-6°C.

The properties of the chemical are: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.54; (5)ACD/BCF (pH 5.5): 54594.96; (6)ACD/BCF (pH 7.4): 54594.96; (7)ACD/KOC (pH 5.5): 85592.46; (8)ACD/KOC (pH 7.4): 85592.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 90.74 cm³; (15)Molar Volume: 306.6 cm³; (16)Polarizability: 35.97×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Enthalpy of Vaporization: 65.79 kJ/mol ; (19)Vapour Pressure: 8.27×10^-7 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should take the following instructions. Firstly, This material and its container must be disposed of as hazardous waste. Then it should be avoided release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1OC(C(=O)OCC(CC)CCCC)C
(2)InChI: InChI=1/C17H24Cl2O3/c1-4-6-7-13(5-2)11-21-17(20)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3
(3)InChIKey: CEEDFYRUPAWDOU-UHFFFAOYAQ