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Diethylsulfid
diethylsulfane · thioether · FEMA 3825 · ETHYL SULFIDE · Ethanethiolate · Ethylthioethane · 1,1'-thiobisethane · Two.
Identifikatoren & physikalische Daten
| CAS No. | 352-93-2 |
|---|---|
| Summenformel | C4H10S |
| Durchschnittliche Molmasse | 90,19 g/mol |
| Monoisotopische Masse | 90,05032132 g/mol |
| SMILES | CCSCC |
| InChIKey | LJSQFQKUNVCTIA-UHFFFAOYSA-N |
| PubChem CID | 9609 |
| ChEMBL | CHEMBL117181 |
| ChEBI | CHEBI:27710 |
| EC No. | 206-526-9 |
| DTXSID | DTXSID5027146 |
| Lokaler Name | Diethylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 11,1 |
| Stoffklassen | Other Classes -> Sulfur CompoundsFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Duftstoffe | Fragrance Ingredient (Diethyl sulfide) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow = 1.95 |
| Geruch | Garlic-like odorEthereal odor |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.8362 g/cu cm at 20 °C0.836-0.8410.837 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Color/Form | LiquidColorless, oily liquid |
| Löslichkeit | Soluble in ethanol, diethyl etherslightly soluble in carbon tetrachloride.Soluble in oxygenated solvents.Miscible with alcohol, etherIn water, 3130 mg/L at 25 °C3.13 mg/mL at 20 °Cinsoluble in watermiscible in alcohol and oilH2O: insolubleMiscible with alcohol, ethanol and ether. Slightly miscible with carbon tetrachloride. Immiscible with water. |
| Flammpunkt | -6.7 °C-10 °C (14 °F) closed cup15 °F |
| Siedepunkt | 92.1 °C90.00 to 93.00 °C. @ 760.00 mm Hg92 °C90-92 °C(lit.) |
| Schmelzpunkt | −100 °C(lit.) |
| Dampfdruck | 105 mm Hg ( 37.7 °C) |
| Brechungsindex | n20/D 1.442(lit.) |
| FEMA | 3825 | DIETHYL SULFIDE |
| Aggregatzustand | liquid |
| Wichte | 0.837 |
| Farbe | Colorless to Almost colorless |
| Geruch | ethereal sulfurous |
| Geruchsart | sulfurous |
| Biologische Quelle | synthetic |
| Geruchsschwelle | 0.000033ppm |
| Spezifische Wärmekapazität | Cp(liquid): 1.9 J/(g·K)Cp(gas): 1.3 J/(g·K), at 25℃ |
| JECFA Number | 454 |
| Merck | 14,3854 |
| BRN | 1696909 |
| Henry-Konstante | 3.5×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Dielektrizitätskonstante | 7.2(20℃) |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | cleaning productscosmeticsfood and beveragespersonal care |
| InChI | 1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3 |
| InChIKey | LJSQFQKUNVCTIA-UHFFFAOYSA-N |
| SMILES | CCSCC |
| LogP (Verteilungskoeffizient) | 1.95 at 20℃ |
| CAS Datenbank | 352-93-2(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl sulfide(352-93-2) |
| EPA chemische Informationen | Diethyl sulfide (352-93-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1476 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Ethane, 1,1'-thiobis-Ethane, 1,1'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11953Ethane, 1,1'-thiobis-: HSNO Approval: HSR001126 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Brandpotenzial | A very dangerous fire hazard when exposed to heat, flame, or sparks |
| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| Gefahrenübersicht | Emergency treatment: Irritants[HSDB] Safe when used as a flavoring agent in food[JECFA] A mild eye and moderate skin irritant[RTECS] A skin and severe eye irritant[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2375 129 |
| Reaktive Gruppe | Sulfides, Organic |
Anwendungen & Verwendung
Beschreibung
Diethylsulfid bildet eine farblose, wasserunlösliche Flüssigkeit mit ekelhaftem Geruch. Die Verbindung besitzt nur wissenschaftliches Interesse.
Occurrence
Reported found in cabbage, sauerkraut, mustard, egg, chicken, beef, pork, beer (0.0002 to 0.0017 ppm), grape brandy (cognac, armagnac, weinbrand).
Verwenden
Solvent for Anhydrous mineral salts; in plating baths for coating metals with gold or silver.