ChemicalBook--->CAS DataBase List--->76608-88-3

76608-88-3

76608-88-3 Structure

76608-88-3 Structure
IdentificationBack Directory
[Name]

Triapenthenol
[CAS]

76608-88-3
[Synonyms]

uk140
ntn811
rs20411
baronet
NTN 820
NTN 821
RSW 0411
LEA 19393
triazethan
triazethanol
riapenthenol
TRIPENTHENOL
TRIAPENTHENOL
triapenthenol (bsi,iso)
1-CYCLOHEXYL-4,4-DIMETHYL-2-(1,2,4-TRIAZOL-1-YL)PENT-1-EN-3-OL
1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
(E)-(RS)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl) pent-1-en-3-ol
alpha-tert-butyl-(E)-beta-(cyclohexylmethylene)-1H-1,2,4-triazol-1-ethanol
(e)-beta-(cyclohexylmethylene)-alpha-(1,1-dimethylethyl)-1h-1,2,4-triazole-1
β-[(E)-Cyclohexylmethylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
1h-1,2,4-triazole-1-ethanol,beta-(cyclohexylmethylene)-alpha-(1,1-dimethylethy
1H-1,2,4-Triazole-1-ethanol, β-(cyclohexylmethylene)-α-(1,1-dimethylethyl)-, (βE)-
(e)-beta-(cyclohexylmethylene)-alpha-(1,1-dimethylethyl)-1h-1,2,4-triazole-1-ethanol
[EINECS(EC#)]

278-498-6
[Molecular Formula]

C15H25N3O
[MDL Number]

MFCD01632315
[MOL File]

76608-88-3.mol
[Molecular Weight]

263.38
Chemical PropertiesBack Directory
[Melting point ]

132-134 °C
[Boiling point ]

420.2±47.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[pka]

13.39±0.20(Predicted)
[Henry's Law Constant]

4.0×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[EPA Substance Registry System]

1H-1,2,4-Triazole- 1-ethanol, .beta.-(cyclohexylmethylene)-. alpha.-(1,1-dimethylethyl)-, (E)-(76608-88-3)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium borohydride-->Pinacolone-->1,2,4-Triazole-->Cyclohexanecarboxaldehyde
Safety DataBack Directory
[HS Code ]

29339900
Hazard InformationBack Directory
[Description]

Triapenthenol is a herbicide. It is moderately soluble in water. Little is known regarding its environmental fate but it is considered to be persistent in soils. It is not highly toxic to mammals. It shows a high level of toxicity to birds. There is little information on its toxicity to biodiversity.
[Chemical Properties]

Appearance: white crystals. mp 135.5°C, vapor pressure 4.4×10-6 Pa (20°C). Solubility at 20°C: dimethylformamide 468 g/L, methanol 433 g/L, dichloromethane >200 g/L, isopropanol 100-200 g/L, acetone 150 g/L, toluene 20-50 L, hexane 5-10 g/L, water 68 mg/L.
[Uses]

Triapenthenol is azole plant growth regulators. Their main mechanism of action is the inhibition of gibberellin biosynthesis. This product inhibits crop stem growth and increases crop yield. The agent is absorbed through roots and leaves, achieving the purpose of inhibiting dicotyledonous growth. At normal doses, this product does not inhibit root growth. The general dosage is 300–750 g/hm², and for gramineous crops, the dosage is 0.7–1.4 kg/hm². This product also has fungicidal activity. The (S)-(+)-enantiomer is a gibberellin biosynthesis inhibitor and a plant growth regulator; the (R)-(+) enantiomer inhibits ergosterol demethylation and is a fungicide.
[Definition]

ChEBI: Triapenthenol is a member of triazoles.
[Production Methods]

Triapenthenol is commercially produced through a multi-step synthesis involving triazole and substituted pentenol intermediates. The production process begins with the preparation of a substituted triazole ring, which is then coupled with a cyclohexylmethylene group and a tert-butyl-substituted pentenol backbone via controlled condensation and alkylation reactions. The final compound is purified through crystallisation.
[Mechanism of action]

Growth retardant. Gibberellin biosynthesis inhibitor.
[Pesticide Type]

Plant Growth Regulator; Herbicide
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