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Butan-2,3-dithiol
FEMA 3477 · 2,3-DIMERCAPTOBUTANE · Butanedithiol · UNII:69G298U39K · 2,3-Butandithiol · 2,3-Butanedithio · 2,3-BUTANEDITHIOL · Butan-2,3-dithiol
Identifikatoren & physikalische Daten
| CAS No. | 4532-64-3 |
|---|---|
| Summenformel | C4H10S2 |
| Durchschnittliche Molmasse | 122,3 g/mol |
| Monoisotopische Masse | 122,02239232 g/mol |
| SMILES | CC(S)C(C)S |
| InChIKey | TWWSEEHCVDRRRI-UHFFFAOYSA-N |
| PubChem CID | 548353 |
| ChEMBL | CHEMBL3187041 |
| ChEBI | CHEBI:179053 |
| EC No. | 224-870-8 |
| DTXSID | DTXSID5047089 |
| Lokaler Name | Butan-2,3-dithiol |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 30,5 |
| SpringerMaterials Properties | Optical coefficient |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.997 (20 °C)0.995 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watermiscble in fat(in ethanol) |
| Siedepunkt | 86.00 to 87.00 °C. @ 50.00 mm Hg69-70 °C (28 mm Hg)86-87 °C/50 mmHg (lit.) |
| Brechungsindex | 1.517-1.527n20/D 1.5194(lit.) |
| Schmelzpunkt | -53.9°C (estimate) |
| Dampfdichte | >1 (vs air) |
| FEMA | 3477 | 2,3-BUTANEDITHIOL |
| Flammpunkt | 126 °F |
| pKa (Säurekonstante) | 9.93±0.10(Predicted) |
| Aggregatzustand | liquid (estimate) |
| Wichte | 0.995 |
| Farbe | Colorless to Light yellow to Light orange |
| Geruch | at 0.10 % in propylene glycol. meaty beefy |
| Geruchsart | sulfurous |
| Biologische Quelle | synthetic |
| JECFA Number | 539 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3 |
| InChIKey | TWWSEEHCVDRRRI-UHFFFAOYSA-N |
| SMILES | CC(S)C(C)S |
| LogP (Verteilungskoeffizient) | 2.004 (est) |
| CAS Datenbank | 4532-64-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2,3-Butanedithiol (4532-64-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning 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 1416 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2,3-ButanedithiolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2,3-Butanedithiol: 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) | 10-22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-26 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
2,3-Butanedithiol is an organic compound that falls into the category of alkylthiols, which are characterized by a thiol functional group attached to an alkyl chain. This colorless liquid has a distinctive broth-like aroma. Known for its beefy and meaty flavor, 2,3-Butanedithiol is commonly utilized as a synthetic flavoring agent in the food industry.