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2-(Hydroxymethyl)propan-1,3-diol
2-(hydroxymethyl)propane-1,3-diol · TRIMETHYLOLMETHANE · trihydroxymethylmethane · Methylidynetrismethanol · (Methanetriyl)trimethanol · TRIS(HYDROXYMETHYL)METHANE · 2-methylolpropane-1,3-diol · (Hydroxymethyl)propane-1,3-diol
Identifikatoren & physikalische Daten
| CAS No. | 4704-94-3 |
|---|---|
| Summenformel | C4H10O3 |
| Durchschnittliche Molmasse | 106,12 g/mol |
| Monoisotopische Masse | 106,06299418 g/mol |
| SMILES | OCC(CO)CO |
| InChIKey | SFRDXVJWXWOTEW-UHFFFAOYSA-N |
| PubChem CID | 78432 |
| EC No. | 225-187-8 |
| DTXSID | DTXSID50197010 |
| Lokaler Name | 2-(Hydroxymethyl)propan-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | -1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,7 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 28,4 |
| Schmelzpunkt | 63-68 °C (dec.) (lit.) |
| Siedepunkt | 158 °C(Press: 1.5 Torr) |
| Dichte | 1.213±0.06 g/cm3(Predicted) |
| Flammpunkt | 89 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.10±0.10(Predicted) |
| BRN | 1733340 |
| InChI | InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2 |
| InChIKey | SFRDXVJWXWOTEW-UHFFFAOYSA-N |
| SMILES | C(O)C(CO)CO |
| CAS Datenbank | 4704-94-3(CAS DataBase Reference) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-(Hydroxymethyl)propane-1,3-diol is a useful reactant for the preparation of tetracyanocyclopentadienide amine salts.