HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-3,5-xylenol
PCMX · CHLOROXYLENOL · 4-CHLORO-3,5-XYLENOL · Para-chloro-meta-xylenol · Dettol · nipacidemx · P-CHLORO-M-XYLENOL · Dimethyl-4-chlorophenol
Identifikatoren & physikalische Daten
| CAS No. | 1321-23-9 |
|---|---|
| Summenformel | C8H9ClO |
| Durchschnittliche Molmasse | 156,61 g/mol |
| Monoisotopische Masse | 156,03419259 g/mol |
| SMILES | Cc1cc(O)cc(C)c1Cl |
| InChIKey | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
| PubChem CID | 2723 |
| ChEMBL | CHEMBL398440 |
| ChEBI | CHEBI:34393 |
| EC No. | 201-793-8 |
| DTXSID | DTXSID0032316 |
| Lokaler Name | 4-Chlor-3,5-xylenol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Other Uses -> Biocides/Disinfectants |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Kosmetika | Cosmetic ingredients (Chloroxylenol) -> CIR (Cosmetic Ingredient Review)Preservative |
| pH | pH = 6.45 at 20 °C after dispersion in distilled water7 (0.2g/l, H2O) |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Duftstoffe | Fragrance Ingredient (Phenol, 4-chloro-3,5-dimethyl-) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow = 3.27 |
| Geruch | Phenolic odor |
| Dichte | 0.89 g/ml at 20 °C0.67 g/cm3 |
| Color/Form | Crystals from benzene |
| Löslichkeit | At 15 °C in petroleum ether, benzene, acetone, toluene, chloroform, isopropanol solubility of 0.5, 6.0, 58.0, 7.0, 6.2, 38.0 g/100mL, respectively. At 25 °C in isopropanol, 1 M NaOH and glycerine solubility of 50.0, 8.8 and 1.5, respectively.Soluble in ethanol, ether. Slightly soluble in benzene and pet ether.Soluble 1 part of 95% alcohol, ether, benzene, terpenes fixed oils, solutions of alkali and hydroxidesIn water, 2.5X10+2 mg/L at 20 °Cmethanol: soluble1g/10 mL, clear to faintly turbid, colorless to very faintly yellow0.3 g/L (20 ºC) |
| Corrosivity | At ambient temperature, a 25% solution of chloroxylenol in isopropanol is not corrosive to stainless steel or aluminum. Brass is slightly affected as is mild steel. Mild steel is slightly affected by isopropanol alone. |
| Schmelzpunkt | 114-116 °C(lit.) |
| Siedepunkt | 246 °C |
| Brechungsindex | 1.5523 (estimate) |
| Flammpunkt | 132 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 9.76±0.23(Predicted) |
| Aggregatzustand | Crystalline Powder or Crystals |
| Farbe | White to light beige |
| Geruch | wh. cryst. or cryst. powd., char. phenolic odor |
| Merck | 14,2176 |
| BRN | 1862539 |
| Henry-Konstante | 1.9×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVEANTIMICROBIALDEODORANT |
| InChI | 1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
| InChIKey | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)cc(C)c1Cl |
| LogP (Verteilungskoeffizient) | 3.270 |
| CAS Datenbank | 88-04-0(CAS DataBase Reference) |
| NIST chemische Informationen | Chloroxylenol(88-04-0) |
| EPA chemische Informationen | 4-Chloro-3,5-dimethylphenol (88-04-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-chloro-3,5-dimethyl-Phenol, 4-chloro-3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-chloro-3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 05-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26222Chloroxylenol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Phenol, 4-chloro-3,5-dimethyl-: Human health tier II assessment |
| Gefahrenübersicht | Chloroxylenol is a very popular household and hospital disinfectant, and the authors have seen housekeepers who developed allergic contact dermatitis from this preservative in liquid soaps. [Marks, p. 141] |
| FDA-Anforderungen | Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in topical acne drug products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in dandruff/seborrheic dermatitis/psoriasis drug products..Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: chloroxylenol is included in topical antifungal drug products. |
Anwendungen & Verwendung
Verwenden
4-Chloro-3,5-dimethylphenol is an antiseptic and germicide. Chloroxylenol is used for mildew prevention. Chloroxylenol is also an antibacterial; antiseptic (topical and urinary).