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2,4-Dithiapentan
2,4-DITHIAPENTANE · FEMA 3878 · truffle sulfide · DIMETHYLTHIOMETHANE · Bis(methyL · CH3SCH2SCH3 · thio)methane · bis(methylthio)methan
Identifikatoren & physikalische Daten
| CAS No. | 1618-26-4 |
|---|---|
| Summenformel | C3H8S2 |
| Durchschnittliche Molmasse | 108,23 g/mol |
| Monoisotopische Masse | 108,00674226 g/mol |
| SMILES | CSCSC |
| InChIKey | LOCDPORVFVOGCR-UHFFFAOYSA-N |
| PubChem CID | 15380 |
| ChEBI | CHEBI:167064 |
| EC No. | 216-577-9 |
| DTXSID | DTXSID0061822 |
| Lokaler Name | 2,4-Dithiapentan |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 12,4 |
| SpringerMaterials Properties | Schoenflies notation |
| Duftstoffe | Fragrance Ingredient (bis-(Methylthio)methane) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.959-1.0591.059 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyvery slightly soluble in watersoluble in alcohols and oils(in ethanol)IMMISCIBLE |
| Siedepunkt | 147.00 to 148.00 °C. @ 760.00 mm Hg193 °C147 °C(lit.) |
| Brechungsindex | 1.530-1.538n20/D 1.53(lit.) |
| Physical Description | pale yellow, oily liquid with an odour of fresh mustard |
| Schmelzpunkt | 148 °C |
| Dampfdruck | 4.679hPa at 20℃ |
| FEMA | 3878 | BIS-(METHYLTHIO)METHANE |
| Flammpunkt | 111 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | liquid |
| Farbe | APHA: ≤100 |
| Wichte | 1.059 |
| Geruch | at 0.10 % in propylene glycol. garlic sulfurous green spicy mushroom |
| Geruchsart | sulfurous |
| Biologische Quelle | synthetic |
| Merck | 14,1256 |
| JECFA Number | 533 |
| BRN | 1731143 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3 |
| InChIKey | LOCDPORVFVOGCR-UHFFFAOYSA-N |
| SMILES | CSCSC |
| LogP (Verteilungskoeffizient) | 2.31 at 20℃ |
| CAS Datenbank | 1618-26-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Dithiapentane(1618-26-4) |
| EPA chemische Informationen | Methane, bis(methylthio)- (1618-26-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (12.2%): Flammable liquid and vapor [Warning 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 1464 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methane, bis(methylthio)-Regulation (EC) No 1831/2003 (amended)REACH registered substance: 2,4-dithiapentane (EC: 216-577-9)Methane, bis(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (12.2%) |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29309070 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Occurrence
Reported found in Camembert and Gruyere cheeses, milk, fish oil, cooked and canned beef, shitake mushroom, truffle, prawn and lobster.