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2-Methylbutan-2-thiol
tert-amylthiol · t-pentanethiol · tert-pentanethiol · Methylbutanethiol · TERT-AMYL MERCAPTAN · tert-pentylmercaptan · 2-METHYL-2-BUTANETHI · 2-methyl-2-butanethio
Identifikatoren & physikalische Daten
| CAS No. | 1679-09-0 |
|---|---|
| Summenformel | C5H12S |
| Durchschnittliche Molmasse | 104,22 g/mol |
| Monoisotopische Masse | 104,06597156 g/mol |
| SMILES | CCC(C)(C)S |
| InChIKey | IQIBYAHJXQVQGB-UHFFFAOYSA-N |
| PubChem CID | 15511 |
| EC No. | 216-843-4 |
| DTXSID | DTXSID5061877 |
| Lokaler Name | 2-Methylbutan-2-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 39,2 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -103.77°C |
| Siedepunkt | 99 °C |
| Dichte | 0,83 g/cm3 |
| Brechungsindex | 1.4354 |
| Flammpunkt | -1°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | pK1:11.35 (25°C) |
| Spezifische Wärmekapazität | Cp(liquid): 1.9 J/(g·K), at 25℃ |
| Henry-Konstante | 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| Stabilität | Air Sensitive, Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 2.630 |
| CAS Datenbank | 1679-09-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Butanethiol, 2-methyl- (1679-09-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butanethiol, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Butanethiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (40%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1993 |
| RTECS-Nr. | EK6570500 |
| R-Sätze (R) | 11 |
| Sicherheitshinweise (S) | 9-16-33 |
| Gefahrenklasse | 3.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Odorant, intermediate, bacterial nutrient.