HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Butylphenol
butylphenol · 4-N-BUTYLPHENOL · 4PO · P-BUTYLPHENOL · 4-butyl-pheno · 4-BUTYLPHENOL · phenol,p-butyl · Phenol,p-butyl-
Identifikatoren & physikalische Daten
| CAS No. | 1638-22-8 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | CCCCc1ccc(O)cc1 |
| InChIKey | CYYZDBDROVLTJU-UHFFFAOYSA-N |
| PubChem CID | 15420 |
| ChEMBL | CHEMBL152295 |
| ChEBI | CHEBI:34437 |
| EC No. | 216-672-5 |
| DTXSID | DTXSID3047425 |
| Lokaler Name | 4-Butylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 93 |
| Kovats Retention Index | 1360.61361.81364.4133513862360 |
| Collision Cross Section | 140.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3047425] |
| Schmelzpunkt | 22°C |
| Siedepunkt | 138-139°C 18mm |
| Dichte | 0,98 g/cm3 |
| Brechungsindex | 1.5170 |
| Flammpunkt | 245°C |
| Lagerbedingungen | RT, stored under nitrogen |
| pKa (Säurekonstante) | 10.11±0.13(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Brown |
| Löslichkeit | Not miscible with water. |
| BRN | 2042120 |
| InChI | InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3 |
| InChIKey | CYYZDBDROVLTJU-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(CCCC)C=C1 |
| CAS Datenbank | 1638-22-8(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 4-butyl-(1638-22-8) |
| EPA chemische Informationen | p-Butylphenol (1638-22-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (30.4%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-butyl- |
| Weitere Sicherheitsinformationen | Evaluation - Propyl and butyl phenols |
| Hazard Classes and Categories | Acute Tox. 4 (30.4%)Skin Corr. 1B (100%)Eye Dam. 1 (28.1%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3145 |
| Zollcode | 2907199090 |
| RTECS-Nr. | SJ8922500 |
| R-Sätze (R) | 20/21/22-36/37/38-41-34-22 |
| Gefahrensymbole | C,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals