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3-Mercaptopropanol
3-Mercaptopropan-1-ol · Mercaptopropanol · Mercapto-1-propanol · 3-mercapto-1-propano · 3-Sulfanyl-1-propanol · 3-hydroxypropanethiol · 1-propanol,3-mercapto · 1-mercapto-3-propanol
Identifikatoren & physikalische Daten
| CAS No. | 19721-22-3 |
|---|---|
| Summenformel | C3H8OS |
| Durchschnittliche Molmasse | 92,16 g/mol |
| Monoisotopische Masse | 92,02958605 g/mol |
| SMILES | OCCCS |
| InChIKey | SHLSSLVZXJBVHE-UHFFFAOYSA-N |
| PubChem CID | 88211 |
| ChEMBL | CHEMBL3234722 |
| EC No. | 627-858-4 |
| DTXSID | DTXSID3051836 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 16 |
| Physical Description | Clear colorless viscous liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 84984085279816201665 |
| Siedepunkt | 81-82 °C/10 mmHg (lit.) |
| Dichte | 1.067 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.05±0.10(Predicted) |
| Farbe | Clear colorless |
| BRN | 1731082 |
| InChI | InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | SHLSSLVZXJBVHE-UHFFFAOYSA-N |
| SMILES | C(O)CCS |
| LogP (Verteilungskoeffizient) | 0.410 (est) |
| EPA chemische Informationen | 1-Propanol, 3-mercapto- (19721-22-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Gefahrenübersicht | Causes tremor, ataxia, and dyspnea in oral lethal-dose studies of rats[RTECS] May cause irritationToxic by ingestion and skin absorption[Sigma-Aldrich MSDS] See 1-Propanethiol. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29309099 |
| RTECS-Nr. | UB7630000 |
| R-Sätze (R) | 24/25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 28-36/37-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Mercapto-1-propanol is used to produce hydrophilic SAMs. Also used as a Traceless Linker for Chemical and Enzymatic Synthesis of Oligosaccharides1