HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hexylthiophen
EA123 · 2-n-HexyL · FEMA 4137 · -Hexylthiophene · 2-hexyl-thiophen · Einecs 242-579-4 · 2-HEXYLTHIOPHENE · trans-2-Butene-1
Identifikatoren & physikalische Daten
| CAS No. | 18794-77-9 |
|---|---|
| Summenformel | C10H16S |
| Durchschnittliche Molmasse | 168,3 g/mol |
| Monoisotopische Masse | 168,09727151 g/mol |
| SMILES | CCCCCCc1cccs1 |
| InChIKey | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
| PubChem CID | 87793 |
| ChEBI | CHEBI:168978 |
| EC No. | 242-579-4 |
| DTXSID | DTXSID50172120 |
| Lokaler Name | 2-Hexylthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 90,9 |
| SpringerMaterials Properties | Surface tension |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.930-0.938 (20 °C)0.932 g/mL at 25 °C |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in most organic solventsInsoluble in waterSoluble (in ethanol)Soluble in most organic solvents and ethanol Soluble . Insoluble in water. |
| Siedepunkt | 229.00 to 230.00 °C. @ 760.00 mm Hg229-230 °C228-230°C |
| Schmelzpunkt | 41.00 °C. @ 760.00 mm Hg-39.15°C (estimate) |
| Brechungsindex | 1.492-1.4981.4960 |
| Physical Description | Colourless to pale yellow liquidMeat-like aroma |
| FEMA | 4137 | 2-HEXYLTHIOPHENE |
| Flammpunkt | 107°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Colorless to light yellow |
| Geruch | at 0.10 % in dipropylene glycol. floral fruity gassy green meaty |
| Geruchsart | sulfurous |
| JECFA Number | 1764 |
| BRN | 110220 |
| InChI | 1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3 |
| InChIKey | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
| SMILES | CCCCCCc1cccs1 |
| LogP (Verteilungskoeffizient) | 5.01 |
| CAS Datenbank | 18794-77-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1416 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Thiophene, 2-hexyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Weitere Sicherheitsinformationen | IMAP assessments - Thiophene, 2-hexyl-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (93.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 38220090 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2 |
Anwendungen & Verwendung
Occurrence
Reported found in beef, cranberry, mushroom and turkey.
Verwenden
2-n-Hexylthiophene is used as a important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals.