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Your Location：Home>Product Center >> Pesticide API and intermediates >> Etoxazole
  • Etoxazole
Name:Etoxazole
CAS No:153233-91-1

PRODUCT DESCRIPTION

【Name】
Etoxazole
【Iupac name】
4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,
3-oxazole
【CAS Registry number】
153233-91-1
【Synonyms】
Baroque
Borneo
Oxazole,2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-
TetraSan
YI 5301
Zeal
4-(4-tert-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
2(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole
2-(2,6-Difluorophenyl)-4-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dihydro-1,3-oxazole
Etoxazole [ISO]
【Molecular Formula】
C21H23F2NO2 (Products with the same molecular formula)
【Molecular Weight】
359.41
【Inchi】
InChI=1/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
【Canonical SMILES】
CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
【MOL File】
153233-91-1.mol

Chemical and Physical Properties

【Density】
1.15g/cm3
【Melting Point】
101-102 deg C
【Boiling Point】
449.1°Cat760mmHg
【Vapour】
7.78E-08mmHg at 25°C
【Refractive Index】
1.537
【Flash Point】
225.4°C
【Solubilities】
In water, 3.99X10-2 mg/L at 10 deg C; 6.69X10-2 mg/L at 30 deg C
In water, 7.54X10-2 mg/L at 20 deg C
Solubility in acetone 300, methanol 90, ethanol 90, cyclohexanone 500, etrahydrofuran 750, acetonitrile 80, ethyl acetate 250, xylene 250, n-hexane 13, n-heptane 13 (all in g/L, 20 deg C)
【Color/Form】
White, crystalline powder
Brown granules /End-use/
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:359.409626 [g/mol]
Molecular Formula:C21H23F2NO2
XLogP3-AA:5.4
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:5
Exact Mass:359.169685
MonoIsotopic Mass:359.169685
Topological Polar Surface Area:30.8
Heavy Atom Count:26
Formal Charge:0
Complexity:495
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:5.6
Conformer Sampling RMSD:0.8
CID Conformer Count:56

Safety and Handling

【Hazard Codes】
N
【Risk Statements】
R50/53
【Safety Statements 】
60-61
【Formulations/Preparations】
Trade names: Borneo, Baroque, Secure, Tetrasan, Zoom
Soluble concentrate
Technical is 93-98%.
Types of Formulations: 95.4% technical product, 5.0% water dispersible granular end-use product.
【Reactivities and Incompatibilities】
Cannot be mixed with Bordeaux mixture.
【Octanol/Water Partition Coefficient】
log Kow = 5.59 at 25 deg C
【Disposal Methods】
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), Koc values greater than 5,000(2) indicate that etoxazole is expected to be immobile in soil(SRC). Volatilization of etoxazole from moist soil surfaces is not expected(SRC) given an estimated Henry's Law constant of 1.0X10-7 atm-cu m/mole(SRC), calculated from a vapor pressure of 1.64X10-8 mm Hg(3) and a water solubility of 7.54X10-2 mg/L(3). Etoxazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). The mean of seven half-life values for the biodegradation of etoxazole in a variety of soils was reported as 20.5 days(2).
AQUATIC FATE: Based on a classification scheme(1), Koc values greater than 5,000(2), indicate that etoxazole is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.0X10-7 atm-cu m/mole(SRC), calculated from a vapor pressure of 1.64X10-8 mm Hg(4), and water solubility of 7.54X10-2 mg/L(4). According to a classification scheme(5), an estimated BCF of 10,000(SRC), from a log Kow of 5.59(4), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). Etoxazole is expected to be biodegraded in water based on a mean half-life of 20.5 days in soil(2). Etoxazole is considered to be degraded under acidic conditions, but stable at pH 7-9(2). This substance was reported to be degraded in approximately 10 days at pH 5(2).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), etoxazole, which has a vapor pressure of 1.64X10-8 mm Hg at 25 deg C(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase etoxazole may be removed from the air by wet and dry deposition(SRC).

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