HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiophen-2-methanol
2-THIOPHENETHANOL · 2-THENYL ALCOHOL · 2-THIENYLMETHANOL · THIOPHENE-2-METHANOL · 2-(HYDROXYMETHYL)THIOPHENE · THENYL ALCOHOL · 2-THIENYLETHANOL · thiophenecarbinol
Identifikatoren & physikalische Daten
| CAS No. | 636-72-6 |
|---|---|
| Summenformel | C5H6OS |
| Durchschnittliche Molmasse | 114,17 g/mol |
| Monoisotopische Masse | 114,01393581 g/mol |
| SMILES | OCc1cccs1 |
| InChIKey | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
| PubChem CID | 69467 |
| EC No. | 211-264-3 |
| DTXSID | DTXSID50212979 |
| Lokaler Name | Thiophen-2-methanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Stoffklassen | Other Classes -> Thiophenes |
| LogP (Verteilungskoeffizient) | 0.87 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.205-1.215 (20 °C)1.205 g/mL at 25 °C (lit.) |
| Löslichkeit | Soluble in waterSoluble (in ethanol)40 g/L (20 ºC) |
| Siedepunkt | 206.00 to 207.00 °C. @ 760.00 mm Hg206-207 °C207 °C (lit.) |
| Dampfdruck | 0.02 [mmHg] |
| Brechungsindex | 1.562-1.568n20/D 1.564(lit.) |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS]Clear colourless to yellow liquidSavoury roasted aroma with coffee notes |
| Schmelzpunkt | 0°C |
| FEMA | 4642 | 2-THIENYLMETHANOL |
| Flammpunkt | 214 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.89±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Geruch | at 0.10 % in propylene glycol. savory roasted coffee |
| Geruchsart | savory |
| JECFA Number | 2111 |
| BRN | 383595 |
| InChI | 1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
| InChIKey | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
| SMILES | OCc1cccs1 |
| LogP (Verteilungskoeffizient) | 0.71 |
| CAS Datenbank | 636-72-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiophenemethanol(636-72-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | THIOPHENE-2-METHANOL: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 23-24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
No commercially developed applications.