HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Levoglucosenone
(1S,5R)- · Ccris 4274 · Brn 4859778 · Levoglucosenone · Levoglucosenone>Levoglucosenone min. 98% · Levoglucosenone, 10 mM in DMSO · 6,8-DIOXA-BICYCLO[3.2.1]OCT-2-EN-4-ONE · 2β,6β-(Epoxymethano)-2H-pyran-3(6H)-one
Identifikatoren & physikalische Daten
| CAS No. | 37112-31-5 |
|---|---|
| Summenformel | C6H6O3 |
| Durchschnittliche Molmasse | 126,11 g/mol |
| SMILES | O=C1C=C[C@H]2CO[C@@H]1O2 |
| InChIKey | HITOXZPZGPXYHY-UJURSFKZSA-N |
| PubChem CID | 699486 |
| ChEMBL | CHEMBL4126941 |
| ChEBI | CHEBI:30999 |
| EC No. | 640-811-2 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 173 |
| Siedepunkt | 113°C/3mmHg(lit.) |
| Dichte | 1.329±0.06 g/cm3(Predicted) |
| Brechungsindex | nD25 1.5084 |
| Lagerbedingungen | Amber Vial, -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | liquid |
| Farbe | Colourless to Yellow |
| Merck | 14,5465 |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1 |
| InChIKey | HITOXZPZGPXYHY-UJURSFKZSA-N |
| SMILES | [C@@]12([H])O[C@@]([H])(OC1)C(=O)C=C2 |
| LogP (Verteilungskoeffizient) | -0.740 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 6,8-Dioxabicyclo3.2.1oct-2-en-4-one, (1S,5R)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2932990090 |
| RTECS-Nr. | JG7020000 |
| R-Sätze (R) | 36 |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
(-)-Form Levoglucosenone is a pyrolysis product of cellulose and cellulose-containing materials including pulp and paper waste products. Known as a pyrolytic product of cellulose, its very useful as a chiral source for synthesizing natural products.