HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylindanone
2-Methyl-2,3-dihydro-1H-inden-1-one · 2-METHYL-INDANONE · 2-METHYL-1-INDANONE · 2-METHYLINDAN-1-ONE · 2-METHYL-1-INDANONE 97% · (R,S)-2-Methyl-indan-1-one · 2-methyl-2,3-dihydroinden-1-one · 2,3-Dihydro-2-methyl-1H-inden-1-one
Identifikatoren & physikalische Daten
| CAS No. | 17496-14-9 |
|---|---|
| Summenformel | C10H10O |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,07316494 g/mol |
| SMILES | CC1Cc2ccccc2C1=O |
| InChIKey | BEKNOGMQVKBMQN-UHFFFAOYSA-N |
| PubChem CID | 249262 |
| ChEMBL | CHEMBL155191 |
| EC No. | 605-746-6 |
| DTXSID | DTXSID30290210 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 47-47.5 °C |
| Siedepunkt | 93-95 °C4 mm Hg(lit.) |
| Dichte | 1.064 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.555(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| Farbe | Yellow |
| InChI | InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3 |
| InChIKey | BEKNOGMQVKBMQN-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)CC1C |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914390090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 23-26-36/37/39-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Methyl-1-indanone may be used as a starting material in the synthesis of β-benzocycloalkenone. It may be used in the synthesis of the following:cyclohex-2-en-1-yl 2-methyl-1H-inden-3-yl carbonate2-hydroxy-2-methyl-1-indanoneO-alkoxycarbonylation of lithium enolates