HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2,4-Dimethoxyphenyl)ethan-1-on
1-(2,4-Dimethoxyphenyl)ethan-1-one · 2',4'-Dimethoxyacetophenone · AKOS BBS-00004235 · PEONOL METHYL ETHER · 2,4-Dimethoxyacetoph · 2,4-DIMETHOXYACETOPHENONE · 2,4'-Dimethoxyacetaphenone · 1-Acetyl-2,4-dimethoxybenzene
Identifikatoren & physikalische Daten
| CAS No. | 829-20-9 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | COc1ccc(C(C)=O)c(OC)c1 |
| InChIKey | VQTDPCRSXHFMOL-UHFFFAOYSA-N |
| PubChem CID | 70016 |
| ChEMBL | CHEMBL3039420 |
| ChEBI | CHEBI:167428 |
| EC No. | 212-587-2 |
| DTXSID | DTXSID70232073 |
| Lokaler Name | 1-(2,4-Dimethoxyphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 179 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 37-40 °C(lit.) |
| Siedepunkt | 288 °C(lit.) |
| Dichte | 1.1272 (rough estimate) |
| Brechungsindex | 1.5430 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Dichloromethane, Ethyl Acetate, Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| BRN | 511947 |
| InChI | InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3 |
| InChIKey | VQTDPCRSXHFMOL-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(OC)C=C1OC)C |
| CAS Datenbank | 829-20-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2',4'-Dimethoxyacetophenone(829-20-9) |
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)Aggregated GHS information provided per 3 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29145090 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Herstellung & Synthese
synthetische
Obtained by reaction of dimethyl sulfate with resacetophenone in the presence of 10% aqueous sodium hydroxide (61%).