HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethylhexan-1-thiol
UNII:9M9TA4S7BL · Ethylhexanethiol · 2-ETHYLHEXANETHIOL · Iso-octyl mercaptan · 2-ETHYL-1-HEXANETHIO · 2-Ethylhexan-1-thiol · 2-ethylhexane-1-thiol · 2-ETHYLHEXYLMERCAPTAN
Identifikatoren & physikalische Daten
| CAS No. | 7341-17-5 |
|---|---|
| Summenformel | C8H18S |
| Durchschnittliche Molmasse | 146,3 g/mol |
| Monoisotopische Masse | 146,11292175 g/mol |
| SMILES | CCCCC(CC)CS |
| InChIKey | UCJMHYXRQZYNNL-UHFFFAOYSA-N |
| PubChem CID | 110968 |
| ChEBI | CHEBI:167084 |
| EC No. | 230-854-1 |
| DTXSID | DTXSID80864041 |
| Lokaler Name | 2-Ethylhexan-1-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 52,5 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.817-0.8270.843 g/mL at 25 °C |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in oil and alcohol(in ethanol) |
| Siedepunkt | 178.00 to 182.00 °C. @ 760.00 mm Hg178-182 °C67°C/10mmHg(lit.) |
| Schmelzpunkt | -40.00 to -39.00 °C. @ 760.00 mm Hg-40 °C |
| Brechungsindex | 1.453-1.459n20/D 1.457 |
| Physical Description | colourless to pale yellow liquid |
| FEMA | 3833 | 2-ETHYLHEXANETHIOL |
| Flammpunkt | 60 °C |
| pKa (Säurekonstante) | 10.34±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| JECFA Number | 519 |
| InChI | 1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| InChIKey | UCJMHYXRQZYNNL-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)CS |
| LogP (Verteilungskoeffizient) | 4.25 |
| CAS Datenbank | 7341-17-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Hexanethiol, 2-ethyl-(7341-17-5) |
| EPA chemische Informationen | 1-Hexanethiol, 2-ethyl- (7341-17-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Hexanethiol, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3336 3/PG 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36-43-52/53 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | 3Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Resp. Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Occurrence
Reported found in potato.
Verwenden
2-Ethylhexanethiol can be used as a capping agent on the gold surface for the development of chemiresistive vapor sensors. It also forms a SAM on copper indium sulfide (CuInS2) which can be used as an active layer on organic electronic devices such as organic light emitting diodes (OLEDs) and solar cells.