Physicochemical Properties
Molecular Formula | C15H20CLN3O |
Molecular Weight | 293.79 |
Exact Mass | 293.129 |
CAS # | 76738-62-0 |
Related CAS # | (Rac)-Paclobutrazol-15N3;2642083-16-5;Paclobutrazol-d4 |
PubChem CID | 616765 |
Appearance | White to off-white solid powder |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 460.9±55.0 °C at 760 mmHg |
Melting Point | 165-166°C |
Flash Point | 232.6±31.5 °C |
Vapour Pressure | 0.0±1.2 mmHg at 25°C |
Index of Refraction | 1.580 |
LogP | 2.99 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Heavy Atom Count | 20 |
Complexity | 300 |
Defined Atom Stereocenter Count | 0 |
InChi Key | RMOGWMIKYWRTKW-UHFFFAOYSA-N |
InChi Code | InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3 |
Chemical Name | 1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
ln Vitro | In mature mustard seeds, paclobutrazol (foliar spray, 5–20 μg/mL) increases total soluble sugars, carbohydrates, protein, and independent dosages. The growth of fungi, including Sirococcus clavigignenti, juglandacearum, and Ceratocystis fagacearum, is inhibited by paclobutrazol (0-19.8 μg·AI/mL) [2]. Tomato seedlings treated with paclobutrazol (5-100 μg/mL, 7–21 days) have higher quality and are resistant to early blight [3]. |
Additional Infomation | 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol is a member of the class of triazoles that is 2,2-dimethylpentane that is substituted at positions 2, 3, and 5 by hydroxy, 1,2,4-triazol-1-yl, and p-chlorophenyl groups, respectively. It is a member of triazoles, a member of monochlorobenzenes and a secondary alcohol. |
Solubility Data
Solubility (In Vitro) | DMSO : 250 mg/mL (850.95 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 3.4038 mL | 17.0190 mL | 34.0379 mL | |
5 mM | 0.6808 mL | 3.4038 mL | 6.8076 mL | |
10 mM | 0.3404 mL | 1.7019 mL | 3.4038 mL |