Identifikatoren & physikalische Daten
| CAS No. | 513-44-0 |
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| Summenformel | C4H10S |
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| Durchschnittliche Molmasse | 90,19 g/mol |
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| Monoisotopische Masse | 90,05032132 g/mol |
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| SMILES | CC(C)CS |
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| InChIKey | BDFAOUQQXJIZDG-UHFFFAOYSA-N |
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| PubChem CID | 10558 |
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| EC No. | 208-162-6 |
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| DTXSID | DTXSID9060156 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 5 |
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| Formalladung | 0 |
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| Komplexität | 17,6 |
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| SpringerMaterials Properties | Boiling point |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.829-0.836 |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | soluble in oil and alcohol(in ethanol) |
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| Siedepunkt | 88.50 °C. @ 760.00 mm Hg87-89 °C |
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| Schmelzpunkt | -79 °C |
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| Brechungsindex | 1.437-1.444 |
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| Physical Description | Liquidcolourless liquid with cooked vegetable, mustard-like odour |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+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 1468 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1-Propanethiol, 2-methyl-Regulation (EC) No 1831/2003 (amended)1-Propanethiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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