CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Captafol is a white crystalline solid with a slight, but pungent odor. Mp: 162 °C. Practically insoluble in water. Only slightly soluble in organic solvents. Technical captafol is a wettable light tan powder that is used as a fungicide. Inhaled dust irritates the respiratory tract. Irritates skin and damages eyes. Acute oral toxicity in humans is low. Not persistent in the environment (decomposes with a half-life of 11 days in the soil). Highly toxic to fish and other aquatic organisms. |
|---|---|
| Color/Form | White, solid |
| Odor | Slight, characteristic pungent odor. |
| Boiling Point | Decomposes (NIOSH, 2023) |
| Melting Point | 321 °F (Decomposes) (NIOSH, 2023) |
| Solubility | 0.0001 % (NIOSH, 2023) |
| Density | Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00 |
| Vapor Density | Relative vapor density (air = 1): 12 |
| Vapor Pressure | 8e-06 mmHg (NIOSH, 2023) |
| LogP | log Kow = 3.8 |
| Stability/Shelf Life | Slowly hydrolyzed in aqueous emulsion or suspension. Rapidly hydrolyzed in acidic and alkaline media. Decomposes slowly at the melting point. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride, oxides of nitrogen and oxides of sulfur/. |
| Ionization Efficiency | Positive |
| Kovats Retention Index | 2337.9 2341.3 2323 2337.4 |
| Other Experimental Properties | Light tan powder with a characteristic odor /Technical grade/ |
| Chemical Classes | Pesticides -> Fungicides |
COMPUTED DESCRIPTORS
| Molecular Weight | 349.1 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 348.907860 g/mol |
| Monoisotopic Mass | 346.910810 g/mol |
| Topological Polar Surface Area | 62.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 387 |
| 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 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Captafol is a white crystalline solid with a slight, but pungent odor. Mp: 162 °C. Practically insoluble in water. Only slightly soluble in organic solvents. Technical captafol is a wettable light tan powder that is used as a fungicide. Inhaled dust irritates the respiratory tract. Irritates skin and damages eyes. Acute oral toxicity in humans is low. Not persistent in the environment (decomposes with a half-life of 11 days in the soil). Highly toxic to fish and other aquatic organisms.