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Etofenprox

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Etofenprox

EINECS 407-980-2
CAS No. 80844-07-1 Density 1.1±0.1 g/cm3
Solubility Melting Point 36oC
Formula C25H28O3 Boiling Point 481.6±40.0 °C at 760 mmHg
Molecular Weight 376.49 Flash Point 165.1±24.6 °C
Transport Information Appearance white solid
Safety Risk Codes
Molecular Structure Molecular Structure of 80844-07-1 (Benzene,1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxy-) Hazard Symbols
Synonyms

2-(4-Ethoxyphenyl)-2-methylpropyl3-phenoxybenzyl ether;4-Ethoxyneophyl 3-phenoxybenzyl ether;Ethophenprox;Ethoproxyfen;Ethoproxyphen;Etof;Etofenprox;MTI 500;SA130301;Trebon;Ethofenprox;

 

Etofenprox Specification

The Etofenprox, with the CAS registry number 80844-07-1, is also known as 4-Ethoxyneophyl 3-phenoxybenzyl ether. Its EINECS number is 407-980-2. This chemical's molecular formula is C25H28O3 and molecular weight is 376.49. What's more, its systematic name is 1-{[2-(4-Ethoxyphenyl)-2-methylpropoxy]methyl}-3-phenoxybenzene. This chemical should be sealed and stored in a cool and dry place. It is incompatible with strong oxidizing agents. Its classification codes are: (1)Acaricide; (2)Agricultural Chemical; (3)Insecticide; (4)Reproductive Effect. This chemical is used as a pesticide of broad-spectrum, high effective, low toxic, less residual and it is safe to crop. It is synthetic pyrethroid for insecticidal efficacy against mosquito larvae & on non-target organisms. 

Physical properties of Etofenprox are: (1)ACD/LogP: 7.34±0.52 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 7.35 ACD/LogD (pH 7.4): 7.35; (3)ACD/BCF (pH 5.5): 225191.00; (4)ACD/BCF (pH 7.4): 225191.00; (5)ACD/KOC (pH 5.5): 236010.60; (6)ACD/KOC (pH 7.4): 236010.60; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 27.69 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 113.3±0.3 cm3; (13)Molar Volume: 350.8±3.0 cm3; (14)Polarizability: 44.9±0.5×10-24cm3; (15)Surface Tension: 38.6±3.0 dyne/cm; (16)Density: 1.1±0.1 g/cm3; (17)Flash Point: 165.1±24.6 °C; (18)Enthalpy of Vaporization: 71.8±3.0 kJ/mol; (19)Boiling Point: 481.6±40.0 °C at 760 mmHg; (20)Vapour Pressure: 0.0±1.2 mmHg at 25°C.

Preparation of Etofenprox: this chemical can be prepared by 1-(bromomethyl)-3-phenoxybenzene and tetrahydrofuran by irradiation. This reaction time is 35 min. The yield is about 95%.

Etofenprox can be prepared by 1-(bromomethyl)-3-phenoxybenzene and tetrahydrofuran by irradiation

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
(2)Std. InChI: InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
(3)Std. InChIKey: YREQHYQNNWYQCJ-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
duck LD50 unreported > 2gm/kg (2000mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
mouse LD50 intraperitoneal > 13400mg/kg (13400mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
mouse LD50 oral > 107gm/kg (107000mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
mouse LD50 skin > 2140mg/kg (2140mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
mouse LD50 subcutaneous > 53600mg/kg (53600mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
rat LC50 inhalation > 5900mg/m3/4H (5900mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 505, 1989.
rat LD50 intraperitoneal > 42880mg/kg (42880mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
rat LD50 oral > 42800mg/kg (42800mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
rat LD50 skin > 2140mg/kg (2140mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.
rat LD50 subcutaneous > 32160mg/kg (32160mg/kg)   Japan Pesticide Information. Vol. (48), Pg. 23, 1986.

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