HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Pentylphenol
P-N-PENTYLPHENOL · 5PO · p-Amylphenol · 4-AMYLPHENOL · 4-pentyl-pheno · 4-N-AMYLPHENOL · P-PENTYLPHENOL · p-pentyl-pheno
Identifikatoren & physikalische Daten
| CAS No. | 14938-35-3 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | CCCCCc1ccc(O)cc1 |
| InChIKey | ZNPSUQQXTRRSBM-UHFFFAOYSA-N |
| PubChem CID | 26975 |
| ChEMBL | CHEMBL153388 |
| ChEBI | CHEBI:34441 |
| EC No. | 239-015-4 |
| DTXSID | DTXSID9044164 |
| Lokaler Name | 4-Pentylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 104 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 4.06 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 146.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9044164] |
| Schmelzpunkt | 23-25 °C |
| Siedepunkt | 342 °C |
| Dichte | 0.960 g/mL at 20 °C (lit.) |
| Dampfdichte | 5.66 |
| Brechungsindex | n20/D 1.515 |
| Flammpunkt | 133 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)99.99mg/L(25 ºC) |
| pKa (Säurekonstante) | 10.26±0.13(Predicted) |
| Aggregatzustand | A liquid |
| Wichte | 0.966 |
| Farbe | White or Colorless to Light yellow |
| BRN | 1364424 |
| InChI | 1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3 |
| InChIKey | ZNPSUQQXTRRSBM-UHFFFAOYSA-N |
| SMILES | CCCCCc1ccc(O)cc1 |
| CAS Datenbank | 14938-35-3(CAS DataBase Reference) |
| NIST chemische Informationen | P-n-amyl phenol(14938-35-3) |
| EPA chemische Informationen | 4-Pentylphenol (14938-35-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Phenol, 4-pentyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Corr. 1C (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2430 8/PG 1 |
| Zollcode | 29071990 |
| RTECS-Nr. | SM6750000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Pentylphenol is an antimicrobial compound that It is used to Intermediates of Liquid Crystals.