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HCID 41569Erstellt: 26. Oktober 2026
2,5-Dimethylfuran-3-thiol
2,5-Dimethyl-3-furathiol · 2,5-DIMETHYL-3-FURANTHIOL · FEMA 3451 · DiMethyl-3-furanth · 2,5-dimethyl-3-furanthio · 2,5-DIMETHYLFURAN-3-THIOL · 3-Furanthiol, 2,5-dimethyl- · 3-Mercapto-2,5-dimethylfuran
https://huagongshe.com/de/chemical/41569
Identifikatoren & physikalische Daten
| CAS No. | 55764-23-3 |
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| Summenformel | C6H8OS |
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| Durchschnittliche Molmasse | 128,19 g/mol |
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| Monoisotopische Masse | 128,02958588 g/mol |
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| SMILES | Cc1cc(S)c(C)o1 |
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| InChIKey | DBBHCZMXKBCICL-UHFFFAOYSA-N |
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| PubChem CID | 41569 |
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| EC No. | 259-800-5 |
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| DTXSID | DTXSID10204315 |
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| Lokaler Name | 2,5-Dimethylfuran-3-thiol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 14,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 84,6 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 1.138-1.1441.05 |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | Insoluble in water,soluble in organic solvents,oilsMiscible at room temperature (in ethanol) |
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| Siedepunkt | 175.00 to 177.00 °C. @ 760.00 mm Hg70 °C (30 mm Hg)175-177 °C |
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| Brechungsindex | 1.500-1.5201.505-1.515 |
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| Physical Description | Clear yellow-orange liquidmeaty aroma |
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| FEMA | 3451 | 2,5-DIMETHYL-3-FURANTHIOL |
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| Flammpunkt | 54 °C |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| pKa (Säurekonstante) | 6.43±0.50(Predicted) |
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| Aggregatzustand | clear liquid |
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| Farbe | Light yellow to Brown |
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| Geruch | at 0.10 % in propylene glycol. lamb meaty sulfurous |
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| Geruchsart | sulfurous |
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| JECFA Number | 1063 |
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| InChI | 1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3 |
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| InChIKey | DBBHCZMXKBCICL-UHFFFAOYSA-N |
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| SMILES | Cc1cc(S)c(C)o1 |
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| LogP (Verteilungskoeffizient) | 2.60 |
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| CAS Datenbank | 55764-23-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 3-Furanthiol, 2,5-dimethyl-(55764-23-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1548 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 3-Furanthiol, 2,5-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Furanthiol, 2,5-dimethyl-: 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. 3 (> 99.9%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 3336 |
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| Zollcode | 29321900 |
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| RTECS-Nr. | LU6230000 |
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| R-Sätze (R) | 36/37/38-23/24/25-10-22-2017/10/22 |
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| Gefahrensymbole | T,Xn |
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| Sicherheitshinweise (S) | 45-36/37/39-16-15 |
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| Gefahrenklasse | 3Acute Tox. 4 Oral |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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