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1,1-Bis(hydroxymethyl)cyclopropane
CYCLOPROPANE-1,1-DIYLDIMETHANOL · 1,1-DIMETHYLCYCLOPROPANE · CYCLOPROPANE DIMETHANOL · 1,1-Cyclopropyldimethanol · 1,1-Cyclopropyl · 1,1-Cyclopropane · 1,1-Bis(hydroxymethy · 1,1-Bis(hydroxymethyL
Identifikatoren & physikalische Daten
| CAS No. | 39590-81-3 |
|---|---|
| Summenformel | C5H10O2 |
| Durchschnittliche Molmasse | 102,13 g/mol |
| Monoisotopische Masse | 102,06807956 g/mol |
| SMILES | OCC1(CO)CC1 |
| InChIKey | YAINYZJQSQEGND-UHFFFAOYSA-N |
| PubChem CID | 4101437 |
| EC No. | 609-723-1 |
| DTXSID | DTXSID20399327 |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 60,5 |
| Siedepunkt | 235-236 °C(lit.) |
| Dichte | 1.065 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4700(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 14.80±0.10(Predicted) |
| Aggregatzustand | Colourless to Off-White Oil to Semi-Solid |
| Wichte | 1.065 |
| Farbe | Colorless to Light yellow to Light orange |
| InChI | InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2 |
| InChIKey | YAINYZJQSQEGND-UHFFFAOYSA-N |
| SMILES | C1(CO)(CO)CC1 |
| CAS Datenbank | 39590-81-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16793 |
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29021990 |
| R-Sätze (R) | 36 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
1,1-Bis(hydroxymethyl)cyclopropane is used in the synthesis of morphine alkaloids. It also serves as an inhibitor of 5-lipoxygenase.