The Ethofumesate, with the CAS registry number 26225-79-6, has the systematic name of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate. And the molecular formula of this chemical is C13H18O5S. In addition. it belongs to the following product categories: Benzofuranyl alkylsulfonate Alphabetic; E; EQ - EZ; Herbicides; Pesticides & Metabolites; Benzofuranyl alkylsulfonate Pesticides & Metabolites; Alpha sort; E-GAlphabetic. What's more, it should be stored at 0-6°C.
The physical properties of Ethofumesate are as following: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.38; (6)ACD/BCF (pH 7.4): 19.38; (7)ACD/KOC (pH 5.5): 290.49; (8)ACD/KOC (pH 7.4): 290.49; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.21 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 71.13 cm3; (15)Molar Volume: 224.6 cm3; (16)Polarizability: 28.2×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 201.2 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 409.1 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc2cc1c(OC(OCC)C1(C)C)cc2)C
(2)InChI: InChI=1/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
(3)InChIKey: IRCMYGHHKLLGHV-UHFFFAOYAI
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 1600mg/kg (1600mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984, | |
quail | LD50 | unreported | 6gm/kg (6000mg/kg) | Defense des Vegetaux. Vol. 30, Pg. 23, 1976. | |
rabbit | LD50 | oral | > 1gm/kg (1000mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984, | |
rat | LD50 | oral | 1130mg/kg (1130mg/kg) | National Technical Information Service. Vol. PB85-143766, | |
rat | LD50 | skin | 1440mg/kg (1440mg/kg) | "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A184, Pg. 1984, |
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