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Captan
Captex · Captane · CAPTAIN · sr406 · Ugecap · Capran · CAPTAN · CAPTAF
Identifikatoren & physikalische Daten
| CAS No. | 133-06-2 |
|---|---|
| Summenformel | C9H8Cl3NO2S |
| Durchschnittliche Molmasse | 300,6 g/mol |
| Monoisotopische Masse | 298,934133 g/mol |
| SMILES | O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl |
| InChIKey | LDVVMCZRFWMZSG-UHFFFAOYSA-N |
| PubChem CID | 8606 |
| ChEMBL | CHEMBL388676 |
| ChEBI | CHEBI:34608 |
| EC No. | 205-087-0 |
| DTXSID | DTXSID9020243 |
| Lokaler Name | Captan |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 340 |
| LogP (Verteilungskoeffizient) | log Kow = 2.802.35 |
| Geruch | Odorless [Note: Commercial product has a pungent odor] |
| Dichte | 1.74 at 68 °F (USCG, 1999) - Denser than waterwill sink1.74 g/cu cm at 25 °CRelative density (water = 1): 1.741.74 @25 °C |
| Color/Form | White to cream powderCrystals from carbon tetrachlorideColorless crystalsWhite, crystalline powder [Note: Commercial product is a yellow powder] |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)In water, 5.1 mg/L at 25 °C7.78 g/100 mL chloroform8.15 g/100 mL tetrachloroethane4.96 g/100 mL cyclohexanone4.70 g/100 mL dioxane2.13 g/100 mL benzene0.69 g/100 mL toluene0.04 g/100 mL heptane0.29 g/100 mL ethanol0.25 g/100 mL ether at 26 °C20 g/kg xylene21 g/kg acetone1.7 g/kg isopropanol23 g/kg cyclohexanone at 26 °CSlightly soluble in ethylene dichlorideFor more Solubility (Complete) data for CAPTAN (6 total), please visit the HSDB record page.Chloroform: Slightly Soluble,Methanol: Slightly Soluble3.3 mg l-1 (25 °C) |
| Corrosivity | Noncorrosive |
| Siedepunkt | Decomposes (NTP, 1992)314.2°C (rough estimate) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas.Captan decomposes fairly readily in alkaline media (pH>8). It is hydrolytically stable at neutral or acid pH but decomposes when heated alone at its freezing/melting point.Hydrolysed slowly at neutral pH, rapidly in alkali. Thermal DT50 /50% degradation time/ >4 yr (80 °C), 14.2 day (120 °C).When heated to decomposition it emits toxic fumes of /chloride, sulfur oxides, and nitrogen oxides/. |
| Schmelzpunkt | 352 °F (NTP, 1992)172.5 °CColorless to beige amorphous solid with a pungent odor. MP: 175-178 °C /Technical grade/No melting pointdecomposes at 178 °C178°C |
| Dampfdruck | less than 0.00001 mmHg at 77 °F (NTP, 1992)9X10-8 mm Hg at 25 °C0 mmHg (approx)1.0 x 10-5 Pa (25 °C) |
| Physical Description | Captan is a white solid dissolved in a liquid carrier. It is a water emulsifiable liquid. It can cause illness by inhalation, skin absorption and/or ingestion. The primary hazard of this material is that it poses a threat to the environment. In case of release immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil to contaminate groundwater. It is used as a fungicide.Odorless, white, crystalline powder. [fungicide] [Note: Commercial product is a yellow powder with a pungent odor.][NIOSH]WHITE CRYSTALS.Odorless, white, crystalline powder. |
| Stability/Shelf Life | Stable under recommended storage conditions.Captan decomposes fairly readily in alkaline media (pH>8). It is hydrolytically stable at neutral or acid pH but decomposes when heated alone at its freezing/melting point. |
| Brechungsindex | 1.6360 (estimate) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Amorphous Powder |
| pKa (Säurekonstante) | -2.68±0.20(Predicted) |
| Farbe | White, beige |
| Merck | 14,1772 |
| BRN | 234872 |
| Henry-Konstante | 1.4×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIAL |
| InChI | 1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2 |
| InChIKey | LDVVMCZRFWMZSG-UHFFFAOYSA-N |
| SMILES | ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O |
| LogP (Verteilungskoeffizient) | 2.57 at 25℃ |
| CAS Datenbank | 133-06-2(CAS DataBase Reference) |
| NIST chemische Informationen | Captan(133-06-2) |
| EPA chemische Informationen | Captan (133-06-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H351: Suspected of causing cancer [Warning Carcinogenicity]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P203, P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P321, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-Hazard Traits - CarcinogenicityAuthoritative List - CA TACsProp 65Report - regardless of intended function of ingredient in the productCommission Regulation No 844/2012Captan is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)07/5/EC, Reg. (EU) 2018/917, Reg. (EU) 2019/707, Reg. (EU) 2020/869, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2024/2186, Reg. (EU) No 540/2011Status: Active Update: 01-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12775 |
| Weitere Sicherheitsinformationen | IMAP assessments - 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-: Human health tier II assessment |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | Special Hazards of Combustion Products: Irritating and toxic gases are produced in a firethey may include sulfur dioxide, hydrogen chloride, phosgene, and oxides of nitrogen. (USCG, 1999)Combustible under specific conditions. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | Captan may burn, but does not ignite readily. |
| Gesundheitsgefahren |
Anwendungen & Verwendung
Beschreibung
Captane is a pesticide belonging to the thiophtalimide group, mainly affecting agricultural workers. As a sensitizer and photosensitizer, it can induce contact urticaria. Its is used as a fungicide and a bacteriostatic agent in cosmetics and toiletries, particularily in shampoos. Cases of contact dermatitis were reoprted in painters, polishers and varnishers.
Verwenden
Captan is used to control a wide range of fungal diseases on many crops.