테브코나졸

테브코나졸 · 1-(4-클로로페닐)-4,4-다이메틸-3-(1,2,4-트라이아졸-1-일메틸)펜타-3-올 · 테부코나졸 · TEBUCONAZOL · -ol · ELITE · 1-ethanol · (RS)-1-p-Chlorophenyl-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

https://huagongshe.com/ko/chemical/86102

식별자 및 물리적 특성

CAS No.	107534-96-3
분자식	C16H22ClN3O
평균 분자량	307.82 g/mol
단동위원소 질량	307.14514 g/mol
SMILES	CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1
InChIKey	PXMNMQRDXWABCY-UHFFFAOYSA-N
PubChem CID	86102
ChEMBL	CHEMBL487186
ChEBI	CHEBI:83779
EC No.	403-640-2
DTXSID	DTXSID9032113
현지명	테브코나졸

화학 및 물리적 성질

XLogP	3.7
극성 표면적	50.9
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	6
무거운 원자 수	21
형식 전하	0
복잡도	326
농약	Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedPesticides -> FungicidesBiocideEnvironmental transformation -> Pesticides (parent, predecessor)Fungicides, Plant growth regulators
LogP(분배 계수)	log Kow = 3.7
Color/Form	Colorless crystals
용해도	In water, 36 mg/L at pH 5-9, 20 °CChloroform: Slightly SolubleMethanol: Slightly Soluble
Endocrine Disruptors	Potential endocrine disrupting compound
Decomposition	When heated to decomposition it emits toxic vapors of /hydrogen chloride and nitrogen oxides/.
녹는점	105 °C102-105°C
증기압	0.00000001 [mmHg]1.7X10-6 Pa (1.3X10-8 mm Hg) at 20 °C1.7 x l0-6 Pa (20 °C)
Physical Description	Colorless solid[Merck Index] Technical product: White to beige solid[eChemPortal: ESIS] White powder[MSDSonline]
Stability/Shelf Life	Stable to elevated temperatures, and to photolysis and hydrolysis in pure water, under sterile conditions... .
Collision Cross Section	166.8 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9032113]167.37 Å² [M+H]+ [CCS Type: TW]166.25 Å² [M+H]+ [CCS Type: TWIonization: GC-APCI+]
끓는 점	476.9±55.0 °C(Predicted)
밀도	1.25
굴절률	1.5800 (estimate)
인화점	100 °C
저장 조건	Sealed in dry,2-8°C
pKa(산도 계수)	13.70±0.29(Predicted)
물리적 상태	Solid
색상	흰색에서 거의 흰색
용해도	20°C에서 32mg/L
Merck	14,9092
헨리 상수	7.0×104 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	농업청소용품화장품환경음식 및 음료개인 위생 관리
InChI	1S/C16H22ClN3O/c1-15(2,3)16(10-21,20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey	PXMNMQRDXWABCY-UHFFFAOYSA-N
SMILES	CC(C)(C)C(CO)(CCc1ccc(Cl)cc1)n2cncn2
LogP(분배 계수)	3.700
NIST	Tebuconazole(107534-96-3)
EPA	Tebuconazole (107534-96-3)

화학적 성질

White Solid

안전 및 규제

GHS 분류	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Regulation (EC) No 1107/2009 (amended)Tebuconazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/125, Reg. (EU) 2019/707, Reg. (EU) 2020/1160, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/1446, Reg. (EU) No 540/2011, Reg. (EU) No 921/2014Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4163Tebuconazole: HSNO Approval: HSR002879 Approved with controls
유해성 요약	Harmful if swallowedCaused hypertrophy of the adrenal glands in a 1-year dog studyNot a skin sensitizerNot genotoxicNot likely to cause cancer in humansPossible risk of harm to the unborn child[EFSA: Tebuconazole - 2008] May cause irritation[MSDSonline]
FIFRA 요건	Tolerances are established for residues of the fungicide tebuconazole (alpha-[2-(4-chlorophenyl)-ethyl]-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol) in or on the following raw agricultural commodities: [Table#7098]Tolerances are established for the combined residues of the fungicide, tebuconazole and its 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazole-1-yl-methyl)-pentane-3,5-diol metabolite. [Table#7099]Time-limited tolerances are established for residues of the fungicide tebuconazole (alpha-[2-(4-chlorophenyl)-ethyl]-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol) in connection with use of the pesticide under section 18 emergency exemptions granted by EPA. The tolerances will expire and are revoked on the dates specified in the following table. [Table#7100]Time-limited tolerances are established for the combined residues of the fungicide tebuconazole (alpha-[2-(4-chlorophenyl)-ethyl)-ethyl]-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol) and its 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazole-1-yl-methyl)-pentane-3,5-diol metabolite in connection with use of the pesticide under section 18 emergency exemptions granted by EPA. The tolerances will expire and are revoked on the dates specified in the following table. [Table#7101]

용도

Tebuconazole used as a seed dressing is effective against various smut and bunt diseases of cereals. Used as a spray it controls numerous pathogens in various crops: rust species, powdery mildew, Rhyncosporum secalis, Sqtoria spp., Pyrenophora spp., Fusarium spp. in cereals, Mycosphaerella spp. in bananas, Pucciniu spp. and Sclerufium roIfsii in peanuts.