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Name:	Tetraconazole
CAS No:	112281-77-3

PRODUCT DESCRIPTION

【Name】: 1H-1,2,4-Triazole,1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-

【Iupac name】: 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,
4-triazole

【CAS Registry number】: 112281-77-3

【Synonyms】: 1H-1,2,4-Triazole,1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (?à)-
AG 4454
Domark
Eminent
Greman
M 14360
Tetraconazole

【EINECS(EC#)】: 407-760-6

【Molecular Formula】: C₁₃H₁₁Cl₂F₄N₃O (Products with the same molecular formula)

【Molecular Weight】: 372.15

【Inchi】: InChI=1/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2

【InChIKey】: LQDARGUHUSPFNL-UHFFFAOYSA-N

【Canonical SMILES】: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F

【MOL File】
112281-77-3.mol

Chemical and Physical Properties

【Density】: 1.5g/cm³

【Boiling Point】: 438.4°Cat760mmHg

【Vapour】: 6.91E-08mmHg at 25°C

【Refractive Index】: 1.543

【Flash Point】: 219°C

【Solubilities】: Readily soluble in 1,2-dichloroethane, acetone, and methanol
In water, 150 mg/L at 20 deg C

【Color/Form】: Colorless, viscous liquid

【Storage temp】: 0-6°C

【Computed Properties】: Molecular Weight:372.145553 [g/mol]
Molecular Formula:C₁₃H₁₁Cl₂F₄N₃O
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:7
Exact Mass:371.02153
MonoIsotopic Mass:371.02153
Topological Polar Surface Area:39.9
Heavy Atom Count:23
Formal Charge:0
Complexity:381
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 Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:155

Safety and Handling

【Hazard Codes】: Xn:Harmful;N:Dangerousfortheenvironment;

【Risk Statements】: R20/22;R40;R51/53

【Safety Statements 】: S36/37;S41;S61

【Skin, Eye, and Respiratory Irritations】: Causes moderate eye irritation /Tetraconazole technical/

【Cleanup Methods】: If the container is damaged and leaking or material has been spilled, follow these procedures: Cover spill with absorbent material. Sweep into disposal container. Wash area with detergent and water and follow with clean water rinse. Do not allow to contaminate water supplies. Dispose of according to instructions. /Eminent 125SL Fungicide/

【Formulations/Preparations】: Emulsifiable concentrate, oil-in-water emulsion, liquid for seed treatment.
TETRACONAZOLE TECHNICAL: Active Ingredient 97% Tetraconazole.
EMINENT 125SL FUNGICIDE: Active Ingredient 11.6% Tetraconazole.
TETRACONAZOLE TECHNICAL: Active Ingredient 97% Tetraconazole.
DOMARK 230 ME FUNGICIDE: Active Ingredient 20.5% Tetraconazole.
METTLE 125ME FUNGICIDE: Active Ingredient 11.6% Tetraconazole.

【Other Preventative Measures】: SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Avoid contact with eyes, skin, and clothing. Wash thoroughly with soap and water after handlingand before eating, drinking, chewing gum, or using tobacco. /Eminent 125SL Fungicide/
Wash hands before eating, drinking, chewing gum, using tobacco or using the toilet. /Eminent 125SL Fungicide/
Remove clothing immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing. /Eminent 125SL Fungicide/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Remove PPE immediately after handling this product. Wash the outside of gloves before removing. As soon as possible, wash thoroughly and change into clean clothing. /Eminent 125SL Fungicide/
Follow manufacturer's instructions for cleaning/maintaining PPE. If no such instructions for washables, use detergent and hot water. Keep and wash PPE separately from other laundxy. /Eminent 125SL Fungicide/.
This product may be toxic to fish and aquatic invertebrates. Do not apply directly to water, or to areas where surface water is present, or to intertidal areas below the mean high water mark. Drift or runoff from treated areas may be hazardous to aquatic organisms adjacent to treatment areas. Exercise care when making applications of this product, and do not apply when atmospheric conditions favor drift or runoff. Do not contaminate water when disposing of equipment washwaters or rinsate. In order to mitigate concern for reproductive effects to endangered bird and mammal species which may occur incidentally in sugarbeet growing areas, you are required to ascertain through the state Department of Agriculture, or Cooperative Extension Service, whether the treatment area may contain habitat of Federally listed bird and mammal species; if so, treatment must be avoided in these areas. /Eminent 125SL Fungicide/

【Protective Equipment and Clothing】: Applicators and other handlers must wear: long sleeved shirt and long pants, shoes plus socks, and chemical-resistant gloves. Some materials that are chemical-resistant to this product are barrier laminate, butyl rubber 14 mils, nitrile rubber 14 mills, polyvinyl chloride (PVC) 14 mils, and viton 14 mills. If you want more options, follow the instructions for category C on an EPA chemical-resistance category selection chart. /Eminent 125SL Fungicide/
Use this product /for agriultural use/ only in accordance with its labeling and with the Worker Protection Standard, 40 CFR part 170... Do not enter or allow worker entry into treated areas during the restricted entry interval (REI) of 12 hours. For early entry to treated areas that is permitted under the Worker Protection Standard and that involves contact with anything that has been treated, such as plants, soil, or water, wear: coveralls, chemical-resistant gloves, and shoes plus socks. /Eminent 125SL Fungicide/

【Specification】

The CAS register number of Tetraconazole is 112281-77-3. It also can be called as 2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether and the IUPAC name about this chemical is 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole. Classification code about this chemical is Herbicide.

Physical properties about Tetraconazole are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.46; (5)ACD/BCF (pH 7.4): 155.89; (6)ACD/KOC (pH 5.5): 1288.34; (7)ACD/KOC (pH 7.4): 1291.87; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 39.94Å²; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 78.02 cm³; (13)Molar Volume: 247.1 cm³; (14)Polarizability: 30.93x10^-24cm³; (15)Surface Tension: 37.7 dyne/cm; (16)Enthalpy of Vaporization: 69.52 kJ/mol; (17)Boiling Point: 438.4 °C at 760 mmHg; (18)Vapour Pressure: 6.91E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is harmful by inhalation and if swallowed, it also limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves. In addition, you need avoid release to the environment. Refer to special instructions / safety data sheets. In case of fire and / or explosion do not breathe fumes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)C(F)(F)OCC(c1ccc(Cl)cc1Cl)Cn2ncnc2
(2)InChI: InChI=1/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
(3)InChIKey: LQDARGUHUSPFNL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
(5)Std. InChIKey: LQDARGUHUSPFNL-UHFFFAOYSA-N

【Octanol/Water Partition Coefficient】: log Kow = 3.56

【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.
PESTICIDE DISPOSAL: Wastes resulting from the use of this product may be disposed of on-site or at an approved waste disposal facility. CONTAINER DISPOSAL: Triple rinse (or equivalent). Then offer for recycling or reconditioning, or incinerate, or if allowed by state and local authorities, by burning. If burned, stay out of smoke.
For bulk and mini-bulk containers (4000 gal. tanker truck and 260 gal. totes), ...when the container is empty, replace the cap and seal all openings that have been opened during use; and return to the point of purchase, or to a designated location named at the time of purchase of this product. This container must only be refilled with this pesticide product. Do Not Reuse the Container for Any Other Reason. Prior to refilling, inspect carefully for damage such as cracks, punctures, abrasions, worn-out threads and closure devices. Check for leaks after refilling and before transporting. Do not transport if this container is damaged or leaking. If the container is damaged or leaking, call Chem-Trec. /Eminent 125SL Fungicide/
Do not discharge effluent containing this product into lakes, streams, ponds, estuaries, oceans or other waters unless in accordance with the requirements of.a National Pollutant Discharge Elimination System (NPDES) permit and the permitting authority has been notified in writing prior to discharge. Do not discharge effluent containing this product to sewer systems without previously notifying the local sewage treatment authority. For guidance contact your State Water Board or Regional Office of the EPA.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】: Two Crl:CD rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of Triazole-14C-ASC-66811 (M14360) (radiochemical purity: >99%, specific activity: 42 mCi/mmole). Unlabelled ASC-66811 (purity: 99.7%) was used to adjust the specific activity of the dosing preparations. Urine, carbon dioxide, and fecal samples were collected at designated intervals up to 168 hours post-dose. The distribution of radiolabel in the tissues was examined at 168 hours post-dose. Excretion via the urine was the primary pathway with 79 to 95% of the administered radiolabel recovered in the urine. Twelve to 16% of the radiolabel was recovered in the feces. At the lower dosing level, 61 and 27% of the administered dose was excreted within the 1st 24 hours post-dose for the males and females, respectively. At the higher dose, 28 and 8% of the dose was excreted during the 1st 24 hours for the males and female, respectively. Recovery of the radiolabel in the exhaled air ranged from 0.13 to 0.23% of the administered dose for both dose levels. The residual radiolabel in the tissues ranged from 0.7 to 1.9% of the administered dose. The radiolabel was not sequestered in a particular tissue at 7 days post-dose.
Two Crl:CD rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of [U-14C-phenyl]-ASC-66811 (M14360) (radiochemical purity: 99.3% (TLC), 99.0% (HPLC)). Unlabelled ASC-66811 (purity: 94.0%) was used to adjust the specific activity of the dosing preparations. Urine, carbon dioxide, and fecal samples were collected at designated intervals up to 168 hours post-dose. The distribution of radiolabel in the tissues was examined at 168 hours post-dose. Excretion via the urine was the primary pathway with 70 to 79% of the administered radiolabel recovered in the urine. Twenty one to 32% of the radiolabel was recovered in the feces. At the lower dosing level, 70 and 57% of the administered dose was excreted within the 1st 24 hours post-dose for the males and females, respectively. At the higher dose, 64 and 21% of the dose was excreted during the 1st 24 hours for the males and female, respectively. Recovery of the radiolabel in the exhaled air was minimal. The residual radiolabel in the tissues constituted
Three Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Phenyl M 14360 (radiochemical purity: 96.90%, specific activity: 37.35 mCi/mmole). Unlabeled M 14360 technical (purity: 97.6%) was used to adjust the specific activity of the dosing preparations. One animal/sex was dosed with the vehicle alone. Blood was drawn at specified times post-dose from each of the study animals. The radiolabel recovered from each sample was determined by combustion of the sample and recovery of the radiolabeled carbon dioxide which was then analyzed by liquid scintillation counting. The maximal blood concentration of the radiolabel could not be determined because the highest level of radioactivity was recorded for the first sample time in each of the treatment groups. The reported half-lives for the radiolabel in the blood were comparable for all of the treatment groups with a mean for all of the groups of 16.3 hours. Likewise the rates of elimination were comparable with the mean value being 0.044 ng equivalents/g/hour.
Five Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Phenyl M 14360 (radiochemical purity: 97.99%, specific activity: 37.33 mCi/mmole). Unlabeled M 14360 (purity: 97.6%) was used to adjust the specific activity of the dosing preparations. Two animals/sex were dosed only with the vehicle. Urine, feces and cage wash samples were collected from each of the groups at designated time intervals after treatment. The animals were euthanized at 72 hours post-dose. The time-to-peak blood levels for the radiolabel ranged from 1.2 hours post-dose for the 5 mg/kg males to 19.2 hours post-dose for the 60 mg/kg females. The half-life in the blood was approximately 15 hours for all of the treatment groups. The urine was the primary pathway of excretion with 62 to 70% of the administered dose being recovered in the urine and cage wash by 72 hours post-dose for both treatment levels. The recovery in the feces from these groups ranged from 25 to 36%. At 72 hours post-dose, 2.8 to 5.8% of the administered dose was recovered in the tissues. The gastrointestinal tract and the liver were the primary sites of recovery.
Three Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Triazole M 14360 (radiochemical purity: 99%, specific activity: 70.7 mCi/mmole). Unlabeled M 14360 technical (purity: 99.3%) was used to adjust the specific activity of the dosing preparations. Two animal/sex /were/ dosed with the vehicle alone. Blood was drawn at specified times post-dose from each of the study animals. The radiolabel recovered from each sample was determined by combustion of the sample and recovery of the radiolabeled carbon dioxide which was then analyzed by liquid scintillation counting. The time to maximal blood concentrations of radiolabel ranged from 8 hours post-dose for the 5 mg/kg males to between 28 and 36 hours post-dose for the 60 mg/kg females.
Five Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Triazole M 14360 (radiochemical purity: 99%, specific activity: 70.7 mCi/mmole). Unlabeled M 14360 technical (purity: 99.3%) was used to adjust the specific activity of the dosing preparations. Two animals/sex were dosed only with the vehicle. Urine, feces and cage wash samples were collected from each of the groups at designated time intervals after treatment. The animals were euthanized at 72 hours post-dose. The median time-to-peak blood levels for the radiolabel ranged from 8 hours post-dose for the 5 mg/kg males to 28 hours post-dose for the 60 mg/kg females. The median half-life in the blood ranged from 9.3 to 11.3 hours for all of the treatment groups. The urine was the primary pathway of excretion with 75 to 83% of the administered dose being recovered in the urine and cage wash by 72 hours post-dose for both treatment levels. The recovery in the feces from these groups ranged from 12 to 17%. At 72 hours post-dose, 4.1 to 4.9% of the administered dose was recovered in the tissues. The gastrointestinal tract and the liver were the primary sites of recovery.
Ten Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Triazole M 14360 (radiochemical purity: 99%, specific activity: 70.7 mCi/mmole). Unlabeled M 14360 (purity: 99.3%) was used to adjust the specific activity of the dosing preparations. Five animals/sex/group were dosed with the test material and euthanized 7 days after dosing. Five males and 5 females in the 5 mg/kg group were also euthanized at 8 and 18 hours, post-dose, respectively. Five males and 5 females in the 60 mg/kg group were euthanized at 16 and 28 hours post-dose, respectively. Two animals/sex were dosed only with the vehicle. Urine, feces and cage wash samples were collected from each of the groups at designated time intervals after treatment. The urine was the primary pathway of excretion with 80 to 86% of the administered dose being recovered in the urine and cage wash by 7 days post-dose for both treatment levels. The recovery in the feces from these groups ranged from 14 to 18%. At the end of 7 days, 0.9 to 1.5% of the administered dose was recovered in the tissues. For the animals which were euthanized between 8 and 28 hours post-dose, 67 to 85% of the administered dose was recovered in the tissues. At these shorter time intervals, the gastrointestinal tract was the primary site of recovery. Other sites with significant concentrations of the radiolabel were the adrenals, liver, and kidneys. For the females, the ovaries demonstrated a high concentration of the radiolabel as well. By 7 days postdose, the liver was the primary site of recovery for the males. The radiolabel was well distributed in the tissues of the females at 7 days post-dose.
Ten Crl:CD BR rats/sex/group were dosed orally by gavage with 5 or 60 mg/kg of (14C)-Phenyl M 14360 (radiochemical purity: 97.99%, specific activity: 37.33 mCi/mmole). Unlabeled M 14360 (purity: 97.6%) was used to adjust the specific activity of the dosing preparations. Five animals/sex/group were dosed with the test material and euthanized 7 days after dosing. Five males and 5 females in the 5 mg/kg group were also euthanized at 1 and 2 hours, post-dose, respectively. Five males and 5 females in the 60 mg/kg group were euthanized at 4 and 18 hours post-dose, respectively. Four animals/sex were dosed only with the vehicle. Urine, feces and cage wash samples were collected from each of the groups at designated time intervals after treatment. The urine was the primary pathway of excretion with 57 to 67% of the administered dose being recovered in the urine and cage wash by 7 days post-dose for both treatment levels. The recovery in the feces from these groups ranged from 33 to 39%. At the end of 7 days, 0.6 to 1.5% of the administered dose was recovered in the tissues. For the animals which were euthanized between 1 and 18 hours post-dose, 69 to 94% of the administered dose was recovered in the tissues. At the shorter time intervals, the gastrointestinal tract was the primary site of recovery. By 18 hours post-dose, the adrenals were the primary site of recovery. The liver and kidneys also had a higher concentration of the radiolabel over the shorter time period. For the females, the ovaries demonstrated a high concentration of the radiolabel as well. By 7 days post-dose, the kidneys were the primary site of recovery, followed by the liver, adrenals and ovaries.
Single oral doses of (14C) triazole ring labeled M-14360 administered at dose levels of 5 or 60 mg/kg, urine and feces were collected from five rats/sex/dose for 168 hours at which time these animals were killed and their tissues and organs were harvested. The remaining five animals/sex/group were killed at peak blood levels of radioactivity occurring at 8-28 hours of post dosing and their tissues and organs were harvested. Radioactivity was measured in urine, feces, blood, tissues, organs, carcasses and cage washes from all animals. Total recovery of radioactivity ranged from 95% to 102% of the administered dose. Most of the dose (75%) was recovered in the urine after 7 days. Feces accounted for 15 to 18% of the administered dose. Triazole was the major metabolite identified in the urine and feces. In the urine M-14360 acid along with minor metabolite of M-14360 alcohol and its glucuronide conjugate (M3) were isolated. In the feces minor amounts of parent M-14360, the acid and alcohol were isolated. Data suggest M-14360 or its metabolites do not accumulate in the tissues following single oral administration. 95-98% of the urinary and fecal metabolites were identified. There is a qualitative and quantitative difference in the metabolites in the males and females and the dose levels. Male rats produced more triazole than females (65-67% of the AD vs. 48% in females) in the urine, while urine of females had more of M-14360 acid. The same pattern was also seen in the multiple dosing studies, although the differences were not pronounced. In the multiple dosing studies, triazole (3.2-3.9% of the AD for males and females at the low dose vs. 6.5-6.8% for the high dose), M-14360 acid, M-14360 alcohol, M-14360, M6 and others were reported while in the single dosing only triazole (5.6-10.4% of the administered low and high doses in both sexes), M- 14360 acid and M-14360 were reported. Based on the results, the study authors postulated that cleavage of M-14360 to yield triazole appears to be a major step through glutathione mediated path. A metabolic pathway was proposed where the initial step is the formation of an aldehyde intermediate of M-14360 following dealkylation of the fluoro-alkyl group of the molecule.
Several metabolism studies in rats are available to characterize pharmacokinetic and pharmacodynamics profile of tetraconazole following gavage administration. A series of rat metabolism studies with (14Cpheny) tetraconazole and (14C-triazole)tetraconazole were conducted using a single dose of 5 or 60 mg/kg or pretreatment with tetraconazole at 5 or 60 mg/kg/day for 14 days followed by a radioactive dose. The results of these studies indicated that orally administered tetraconazole was rapidly absorbed, distributed and excreted in rats. The major route of excretion is via urine. Urinary excretion accounted for 70-95% of the administered dose in 7 days depending upon sex, dose and radiolabelling position. Fecal excretion accounted for 12-32% of the administered dose in 7 days depending upon sex, dose and radiolabelling position. Most of the excretion occurred in first 48 to 72 hours. Approximately, 52-76% and 12-36% of the administered dose excreted in urine and feces in 72 hours, respectively. Only minor differences were noted in pattern of excretion between the sexes, dose levels and radiolabelling position. In the (14Ctriazole) animals, urinary excretion was higher, while fecal excretion was lower when compared to the (14C-phenyl) animals. Males excreted higher levels of radioactivity in the feces than females. Approximately, 1% of the administered dose remained in the tissues and carcass in 7 days, indicating no significant bioaccumulation of orally administered tetraconazole. Approximately, 2.8-5.8% of the administered dose remained in the tissues and carcass at 72 hours post-dosing. No major differences in absorption, metabolism and excretion were observed in single dose or repeated dose (pretreatment) studies. Maximum blood concentrations in both sexes were delayed in the (14C-triazole) animals compared to the (14C-phenyl) animals; maximum blood concentrations were slightly higher in the males. Half-lives were shorter in the [14C-triazole] animals compared to the (14C-phenyl) animals. AUC (area-under-the curve) values were higher in the (14C-triazole) animals when compared to the (14C-phenyl) animals. (14C-phenyl) males had lower median AUC values compared to females while the (14C-triazole) males had higher median AUC values compared to females.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 531 through 1,922(2) indicates that tetraconazole is expected to have low mobility in soil(SRC). Volatilization of tetraconazole from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.2X10-9 atm-cu m/mole(SRC), derived from its vapor pressure, 1.35X10-6 mm Hg(2), and water solubility, 156 mg/L(2). Tetraconazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(2). Biodegradation data were not available(SRC, 2008).
AQUATIC FATE: Based on a classification scheme(1), a Koc range of 531 through 1,922(2) indicates that tetraconazole 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 4.2X10-9 atm-cu m/mole(SRC), derived from its vapor pressure, 1.3X10-6 mm Hg(2), and water solubility, 156 mg/L(2). According to a classification scheme(4), an estimated BCF of 110(SRC), from its log Kow of 3.56(2) and a regression-derived equation(5), suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism. Biodegradation data were not available(SRC, 2008).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tetraconazole, which has a vapor pressure of 1.35X10-6 mm Hg at 25 deg C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase tetraconazole is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 35 hours(SRC), calculated from its rate constant of 1.1X10-11 cu cm/molecule-sec at 25 deg C(SRC) that was derived using a structure estimation method(3). Particulate-phase tetraconazole may be removed from the air by wet or dry deposition(SRC). Tetraconazole is stable in light(2) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

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