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Name:	Triadimenol
CAS No:	55219-65-3

PRODUCT DESCRIPTION

【Name】: Triadimenol

【CAS Registry number】: 55219-65-3

【Synonyms】: 1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-
Beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Bayfidan
Baytan
Summit
1-(4-chlorophenoxy)-1(1H-1,2,4-triazole)-3-methyl-2-butyl alcohol
alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol

【EINECS(EC#)】: 259-537-6

【Molecular Formula】: C14H18ClN3O2 (Products with the same molecular formula)

【Molecular Weight】: 295.76

【Inchi】: InChI=1/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3

【Canonical SMILES】: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

【MOL File】
55219-65-3.mol

Chemical and Physical Properties

【Appearance】: white powdered solid

【Density】: 1.24 g/cm³

【Melting Point】: 110℃

【Boiling Point】: 465.4 °C at 760 mmHg

【Refractive Index】: 1.579

【Flash Point】: 235.3 °C

【Solubilities】: Insoluble

【Color/Form】: Colorless crystalline solid

【Stability】: Stable at normal temperatures and pressures.

【Storage temp】: 2-8°C

【Spectral properties】: Maximum wavelength (lambda-max) = 224 nm

【Computed Properties】: Molecular Weight:295.76462 [g/mol]
Molecular Formula:C₁₄H₁₈ClN₃O₂
XLogP3:3.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:295.108755
MonoIsotopic Mass:295.108755
Topological Polar Surface Area:60.2
Heavy Atom Count:20
Formal Charge:0
Complexity:303
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:53

Safety and Handling

【Hazard Codes】: Xn:Harmful

【Risk Statements】: R22;R52/53

【Safety Statements 】: S22;S61

【HazardClass】: 6.1(b)

【Safety】: Safety Information of Triadimenol (CAS NO.55219-65-3):
Hazard Codes: Xn,F,T
Risk Statements: 22-52/53-36-20/21/22-11-23
11:? Highly Flammable?
20:? Harmful by inhalation?
21:? Harmful in contact with skin?
22:? Harmful if swallowed?
23:? Toxic by inhalation?
36:? Irritating to the eyes?
52:? Harmful to aquatic organisms?
53:? May cause long-term adverse effects in the aquatic environment?
Safety Statements: 22-61-36-26-45
22:? Do not breathe dust?
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing??
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)?
61:? Avoid release to the environment. Refer to special instructions safety data sheet?

【PackingGroup 】: III

【Skin, Eye, and Respiratory Irritations】: An eye irritant, and causes a mild skin dermal irritation.

【Cleanup Methods】: SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.

【Transport】: 2588

【Formulations/Preparations】: Registered formulations include emulsifiable concentrate (EC) (5% active ingredient), wettable powder (WP)(25% active ingredient), soluble concentrate (SC) (13.33% active ingredient), and flowable concentrate (FlC) (28.3 - 30% active ingredient).
Emulsifiable concentrate, flowable, granule, seed dressing, water dispersible granule, water-oil emulsion, wettable powder.
Baytan Technical; Active ingredient 98.30% Triadimenol
Gustafson RTU-Baytan-Thiram Fungicide; Active ingredients 15.30% Thiram and 5.00% Triadimenol
Gustafson Baytan 30 Fungicide; Active ingredient 30.00% Triadimenol
Trilex Advanced Pak; Active ingredients 28.35% Metalaxyl, 30.00% Triadimenol, and 22.00% Trifloxystrobin
Trilex Advanced 300; Active ingredients 12.82% Metalaxyl, 4.27% Triadimenol, and 8.55% Trifloxystrobin

【Other Preventative Measures】: 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.
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.
Discard clothing and other absorbent materials that have been drenched or heavily contaminated with this product's concentrate. Do not reuse them.
Users should wash hands before eating, drinking, chewing gum, using tobacco, or using the toilet.
Users should remove clothing/PPE immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing.
Users should 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.
Do not apply directly to water, or to areas where surface water is present or to intertidal areas below the mean water mark. Do not contaminate water when disposing of equipment washwater or rinsate. Do not apply when weather conditions favor drift from treated areas. Drift and runoff from treated areas may be hazardous to organisms in neighboring areas. This product may contaminate water through runoff. This product has a high potential for runoff for several months or more after application. Poorly draining soils and soils with shallow water tables are more prone to produce runoff that contains this product. This chemical has properties and characteristics associated with chemicals detected in ground water. The use of this chemical in areas where soils are permeable, particularly where the water table is shallow, may result in ground water contamination.
Do not enter or allow worker entry into treated areas during the restricted entry interval (REI) of 12 hours. Harvesting or transplanting turfgrass grown on sodfarms is prohibited for 17 days following application.
Do not enter or allow others to enter until sprays have dried. Do not enter or allow others to enter until dusts have settled. Do not enter or allow others to enter the treated area (except those involved in watering-in) until watering-in is complete and the surface is dry.
Do not apply this product in a way that will contact workers or other persons, either directly or through drift. Only protected handlers may be in the area during application.
Do not apply this product in a way that will contact any person or pet, either directly or through drift. Keep people and pets out of the area during application.
Do not allow people or pets to enter the treated area until sprays have dried.
Follow manufacturer's instructions for cleaning/maintaining PPE. If no such instructions for washables exist, use detergent and hot water. Keep and wash PPE separately from other laundry.

【Protective Equipment and Clothing】: Water soluble packets when used correctly qualify as a closed mixing/loading system under the Worker Protection Standard for Agricultural Pesticides [40 CFR 170.240(d)(4). Mixers and loaders using water soluble packets must: wear the personal protective equipment required on this labeling for mixers and loaders, and be provided, have immediately available, and wear in an emergency, such as a broken package, spill, or equipment breakdown: chemical resistant footwear and a NIOSH-approved respirator equipped with a dust/mist filter with MSHA/NIOSH approval number prefix TC-21C or any N, R, P, or HE filter.
Mixers, loaders, applicators, flaggers, and other handlers must wear long sleeved shirt and long pants, shoes plus socks, and chemical resistant gloves when mixing/loading, when applying using handheld equipment or handheld nozzles, or when handling treated seed (including spreading, drying, raking, bagging, and sewing seed bags).

【Specification】: ?Triadimenol ,its CAS NO. is 55219-65-3,the synonyms is (1RS,2RS,1RS,2SR)-1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (IUPAC) ; 1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol ; 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol ; BAY KWG 0519 ; Bayfidan ; Baytan ; Baytan TF 3479B ; Caswell No. 074A ; EINECS 259-537-6 ; EPA Pesticide Chemical Code 127201 ; KWG 0519 ; Spinnaker ; Summit ; Tridan Fungicide ; UK 199 ; beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol ; 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)- ; Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)- ; alpha-tert-Butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol .

【Octanol/Water Partition Coefficient】: log Kow = 2.90

【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.
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.

Use and Manufacturing

【Use and Manufacturing】: Methods of Manufacturing

Triadimenol is produced by reduction of triadimefon with aluminum isopropoxide.
Preparation BE 814831; W. Kramer et al., US 3952002 (1974,1976 both to Bayer AG).

【Usage】: Systemic agricultural fungicide.

Biomedical Effects and Toxicity

【Pharmacological Action】: - Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

【Biomedical Effects and Toxicity】: ... 16 laying hens received [phenyl-(14)C]triadimefon at 28.7 ppm for three consecutive days in feed. Triadimefon was identified in fat and eggs (4-17% TRR) but was not detected in liver or muscle. Triadimenol and its related compounds were the major metabolites identified (totals of 41-49% TRR). The remainder of the radioactivity was identified as KWG 1342 and its related compounds (totals of 10-36% TRR), p-chlorophenol (liver and fat only at 2- 4% TRR), chlorophenoxytriazolyl acetic acid (muscle only at 3% TRR), and KWG 1323 (eggs and fat only at 3-5% TRR). /Triadimefon/
Single oral doses of 25 mg/kg /triadimenol/ were administered to rats. Label was fairly readily excreted (over 70% in a week). In males, label was distributed 30% in urine and 53% in feces: in females distribution was 40% and 35%, respectively. No activity was found in expired gases. The major identified band in urine and in feces was KWG 0519 acid (formed by oxidation of the isobutyl moiety of triadimenol]. KWG 0519 (two isomers are present) was more abundant in plasma and in liver than the original Bayleton. Prevalence of KWG 0519 isomers was particularly apparent in males.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】: TERRESTRIAL FATE: Based on a classification scheme(1), Koc values of 211(2) to 992(3) indicate that triadimenol is expected to have moderate to low mobility in soil(SRC). Volatilization of triadimenol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-12 atm-cu m/mole(SRC), based upon its vapor pressure, 3.1X10-10 mm Hg(4), and water solubility, 120 mg/L(5). Triadimenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure(4). In soil, triadimefon degraded with a half life of 15 days to form triadimenol, which was found to be fairly persistent in accord with other compounds that contain triazole groups(6).
TERRESTRIAL FATE: Numerous field studies indicated the presence of triadimenol following the application of triadimefon. Triadimenol residues in soil have been detected after several years of application. Based on one apple orchard trial, triadimenol can consist of 0.13-0.65 mg/kg in the 0-10 cm layer soil during 5 years. The half-life value for triadimenol was determined to range from 3-months to 500 days and consequently thought of as a persistent compound in soil. Often triadimefon and triadimenol are quantified together; however, crop studies specifically detected triadimenol in apples, grapes, melons, strawberries, tomatoes, and wheat at levels up to 0.52 mg/kg at 42 days. 14-C-Radiolabeling studies of 14-C triadimefon treated crops indicated a triadimenol 14-C recovery of 0-1% from barley, 6-23% from wheat, and 25% from apples(1).
AQUATIC FATE: Based on a classification scheme(1), Koc values of 211(2) to 992(3), indicate that triadimenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(4) based upon an estimated Henry's Law constant of 1.3X10-12 atm-cu m/mole(SRC), derived from its vapor pressure, 3.1X10-10 mm Hg(5) and water solubility, 120 mg/L(6). According to a classification scheme(7), an estimated BCF of 21(SRC), from a log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Triadimenol adsorbed on sediments of a pond had a half-life 110-375 days(9).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triadimenol, which has a vapor pressure of 3.1X10-10 mm Hg at 25 deg(2) is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase triadimenol may be removed from the air by wet or dry deposition(SRC). Triadimenol contains chromophores that absorb at wavelengths >290 nm(3); it undergoes some photodegradation upon solar radiation, at a rate of 2.8X10-2 umol/sq cm-hr(4).

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PRODUCT DESCRIPTION

Chemical and Physical Properties

Safety and Handling

Use and Manufacturing

Biomedical Effects and Toxicity

Environmental Fate and Exposure Potential

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