HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79148Erstellt: 26. Oktober 2026
Butan-1,4-dithiol
butane-1,4-dithiol · NSC 60198 · 1,4-Dithiolbutane · Butan-1,4-dithiol · 1,4-Butanedithiol · 1,4-Butanebisthiol · Butane-1,4-bisthiol · 1,4-DIMERCAPTOBUTANE
https://huagongshe.com/de/chemical/79148
Identifikatoren & physikalische Daten
| CAS No. | 1191-08-8 |
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| Summenformel | C4H10S2 |
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| Durchschnittliche Molmasse | 122,3 g/mol |
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| Monoisotopische Masse | 122,02239232 g/mol |
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| SMILES | SCCCCS |
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| InChIKey | SMTOKHQOVJRXLK-UHFFFAOYSA-N |
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| PubChem CID | 79148 |
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| EC No. | 214-728-3 |
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| DTXSID | DTXSID0061589 |
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| Lokaler Name | Butan-1,4-dithiol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 17,5 |
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| SpringerMaterials Properties | Boiling point |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | -53.9°C |
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| Siedepunkt | 105-106 °C/30 mmHg (lit.) |
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| Dichte | 1.042 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.529(lit.) |
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| Flammpunkt | >230 °F |
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| Aggregatzustand | liquid |
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| pKa (Säurekonstante) | 10.07±0.10(Predicted) |
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| Farbe | Colorless to Almost colorless |
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| Geruch | at 0.01 % in propylene glycol. sulfurous meaty |
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| Geruchsart | sulfurous |
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| Biologische Quelle | synthetic |
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| BRN | 1697080 |
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| Hauptanwendungen | flavors and fragrances |
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| InChI | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 |
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| InChIKey | SMTOKHQOVJRXLK-UHFFFAOYSA-N |
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| SMILES | C(S)CCCS |
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| LogP (Verteilungskoeffizient) | 2.190 |
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| CAS Datenbank | 1191-08-8(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,4-Butanedithiol (1191-08-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1,4-Butanedithiol: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| F | 13 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 2810 6.1/PG 3 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 10 - Combustible liquids |
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