Tebuconazole

Tebuconazole^[1]
Names
	IUPAC name (RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol
	Other names (±)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan-3-ol
Identifiers
CAS Number	107534-96-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:81781 ;
ChEMBL	ChEMBL487186 ;
ChemSpider	77680 ;
ECHA InfoCard	100.100.535
PubChem CID	86102;
UNII	401ATW8TRW ;
CompTox Dashboard (EPA)	DTXSID9032113 ;
	InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 Key: PXMNMQRDXWABCY-UHFFFAOYSA-N ; InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 Key: PXMNMQRDXWABCY-UHFFFAOYAS;
	SMILES CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O;
Properties
Chemical formula	C16H22ClN3O
Molar mass	307.82 g·mol−1
Density	1.249 g/cm3 at 20 °C
Melting point	102.4 °C (216.3 °F; 375.5 K)
Solubility in water	0.032 g/L at 20 °C
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Tebuconazole is a triazole fungicide used agriculturally to treat plant pathogenic fungi.

Though the U.S. Food and Drug Administration considers this fungicide to be safe for humans, it may still pose a risk. It is listed as a possible carcinogen in the United States Environmental Protection Agency Office of Pesticide Programs carcinogen list with a rating of C (possible carcinogen). Its acute toxicity is moderate.^[2] According to the World Health Organization toxicity classification, it is listed as III, which means slightly hazardous.

Due to the potential for endocrine-disrupting effects, tebuconazole was assessed by the Swedish Chemicals Agency^[3] as being potentially removed from the market by EU regulation 1107/2009.^[4]

References

^ Tebuconazole, - Archived 2011-04-29 at the Wayback Machine Food and Agriculture Organization of the United Nations
^ EPA regulation on Tebuconazole Archived 2006-04-27 at the Wayback Machine
^ "Interpretation of criteria for approval of active substances in the proposed EU plant protection regulation". Swedish Chemicals Agency (KemI). 2008-09-23. Archived from the original on 2009-01-01. Retrieved 2009-01-14.
^ "European regulation 1107/2009". 2009-10-21. Retrieved 2010-10-28.

External links

[1] Tebuconazole, - Archived 2011-04-29 at the Wayback Machine Food and Agriculture Organization of the United Nations

[2] EPA regulation on Tebuconazole Archived 2006-04-27 at the Wayback Machine

[3] "Interpretation of criteria for approval of active substances in the proposed EU plant protection regulation". Swedish Chemicals Agency (KemI). 2008-09-23. Archived from the original on 2009-01-01. Retrieved 2009-01-14.

[4] "European regulation 1107/2009". 2009-10-21. Retrieved 2010-10-28.

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Names

IUPAC name (RS)- 1-(4-Chlorophenyl)- 4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan- 3-ol
Other names (±)-1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H, 1,2,4-triazol-1-ylmethyl)pentan-3-ol
Identifiers
CAS Number	107534-96-3
3D model (JSmol)	Interactive image
ChEBI	CHEBI:81781
ChEMBL	ChEMBL487186
ChemSpider	77680
ECHA InfoCard	100.100.535
PubChem CID	86102
UNII	401ATW8TRW
CompTox Dashboard (EPA)	DTXSID9032113
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 Key: PXMNMQRDXWABCY-UHFFFAOYSA-N InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3 Key: PXMNMQRDXWABCY-UHFFFAOYAS
SMILES CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
Properties
Chemical formula	C₁₆H₂₂ClN₃O
Molar mass	307.82 g·mol⁻¹
Density	1.249 g/cm³ at 20 °C
Melting point	102.4 °C (216.3 °F; 375.5 K)
Solubility in water	0.032 g/L at 20 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).