HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,4-Benzodioxan-6-ylmethylketon
(E)-5-(4-hydroxystyryl)benzene-1,3-diol · AURORA 18707 · ASISCHEM D29259 · AKOS BBS-00006494 · 6-Acetylbenzodioxane · 6-Acetyl-1,4-benzodixane · 6-ACETYL-1,4-BENZODIOXANE · 6-Acetyl-1,4-benzodioxane >6-Acetyl-1,4-benzodioxane-98%
Identifikatoren & physikalische Daten
| CAS No. | 2879-20-1 |
|---|---|
| Summenformel | C10H10O3 |
| Durchschnittliche Molmasse | 178,18 g/mol |
| Monoisotopische Masse | 178,06299418 g/mol |
| SMILES | CC(=O)c1ccc2c(c1)OCCO2 |
| InChIKey | HGVWMTAIIYNQSI-UHFFFAOYSA-N |
| PubChem CID | 76143 |
| ChEMBL | CHEMBL4557075 |
| ChEBI | CHEBI:194709 |
| EC No. | 220-726-3 |
| DTXSID | DTXSID60182972 |
| Lokaler Name | 1,4-Benzodioxan-6-ylmethylketon |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 202 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 80-82 °C (lit.) |
| Siedepunkt | 270.41°C (rough estimate) |
| Dichte | 1.1601 (rough estimate) |
| Brechungsindex | 1.5370 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Fine Crystalline Needles |
| Farbe | Almost white to slightly blue |
| BRN | 164125 |
| InChI | 1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3 |
| InChIKey | HGVWMTAIIYNQSI-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc2OCCOc2c1 |
| CAS Datenbank | 2879-20-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): 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)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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29145090 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-25-24 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,4-Benzodioxan-6-yl methyl ketone may be used in the preparation of acetylenic alcohols.