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HCID 563Erstellt: 2. November 2026
3-(Methylthio)propionsure
3-(METHYLTHIO)PROPANOIC ACID · Propanoic acid, 3-(methylthio)- · RARECHEM AL BE 0161 · 4-Thiapentanoic acid · 3-METHYLTHIO PROPIONATE · 3-METHYTHIOPROPIONIC ACID · 3-(methylthio)propionicaci · 3-Methylthiopropionic acid
https://huagongshe.com/de/chemical/563
Identifikatoren & physikalische Daten
| CAS No. | 646-01-5 |
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| Summenformel | C4H8O2S |
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| Durchschnittliche Molmasse | 120,17 g/mol |
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| Monoisotopische Masse | 120,02450067 g/mol |
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| SMILES | CSCCC(=O)O |
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| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
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| PubChem CID | 563 |
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| ChEMBL | CHEMBL116212 |
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| ChEBI | CHEBI:1438 |
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| EC No. | 211-460-9 |
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| DTXSID | DTXSID70862354 |
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| Lokaler Name | 3-(Methylthio)propionsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 62,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 62,7 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Thia fatty acids [FA0113] |
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| Aromastoffe | EU Flavoring substances |
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| Siedepunkt | 244.00 to 247.00 °C. @ 760.00 mm Hg130 °C/15 mmHg |
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| Physical Description | Solid |
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| Schmelzpunkt | 16°C |
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| Dichte | 1.16 |
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| Brechungsindex | 1.49 |
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| Flammpunkt | 104 °C |
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| Lagerbedingungen | Store at -20°C |
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| pKa (Säurekonstante) | 4.29±0.10(Predicted) |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Light yellow |
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| Geruch | sweet sulfurous |
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| Löslichkeit | Water : 25 mg/mL (208.04 mM) |
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| BRN | 1743054 |
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| InChI | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) |
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| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)CCSC |
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| LogP (Verteilungskoeffizient) | 0.458 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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 | Chemical: Propanoic acid, 3-(methylthio)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Propanoic acid, 3-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
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| Hazard Classes and Categories | Met. Corr. 1 (14.3%) |
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| UN-Transportnummer | 3265 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 34 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | II |
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