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HCID 42799Erstellt: 27. Oktober 2026
1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one
5-Acetyl-2,3-dihydro-2-methylbenzo[b]furan · 5-Acetyl-2,3-dihydro-2-methylbenzo[b]furan 95+% · Ethanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)- · 1-(2-methyl-2,3-dihydrobenzofuran-5-yl)ethan-1-one · 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)ethan-1-one · 1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one · 1-(2,3-Dihydro-2-methyl-1-benzofuran-5-yl)ethan-1-one, 5-Acetyl-2,3-dihydro-2-methyl-1-benzofuran
https://huagongshe.com/de/chemical/42799
Identifikatoren & physikalische Daten
| CAS No. | 58621-51-5 |
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| Summenformel | C11H12O2 |
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| Durchschnittliche Molmasse | 176,21 g/mol |
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| Monoisotopische Masse | 176,08372962 g/mol |
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| SMILES | CC(=O)c1ccc2c(c1)CC(C)O2 |
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| InChIKey | MORJCRDAGOARLY-UHFFFAOYSA-N |
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| PubChem CID | 42799 |
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| EC No. | 882-360-6 |
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| DTXSID | DTXSID10974162 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 212 |
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| Siedepunkt | 163-164 °C(Press: 20 Torr) |
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| Dichte | 1.093±0.06 g/cm3(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3 |
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| InChIKey | MORJCRDAGOARLY-UHFFFAOYSA-N |
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| SMILES | CC1Cc2cc(ccc2O1)C(C)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2932190090 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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