Identifikatoren & physikalische Daten
| CAS No. | 93-16-3 |
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| Summenformel | C11H14O2 |
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| Durchschnittliche Molmasse | 178,23 g/mol |
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| Monoisotopische Masse | 178,09937969 g/mol |
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| SMILES | CC=Cc1ccc(OC)c(OC)c1 |
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| InChIKey | NNWHUJCUHAELCL-UHFFFAOYSA-N |
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| PubChem CID | 7128 |
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| EC No. | 202-224-6 |
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| DTXSID | DTXSID0052621 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 18,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 165 |
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| Dichte | 1.047-1.053 |
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| Löslichkeit | Insoluble in glycerine and propylene glycolsoluble in most fixed oilssoluble (in ethanol) |
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| Siedepunkt | 262-264 °C |
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| Brechungsindex | 1.566-1.569 |
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| Physical Description | colourless to pale yellow liquiddelicate, clove-carnation aroma |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95.5% (1634 of 1711) of all reports.Not ClassifiedAggregated GHS information provided per 1711 reports by companies from 6 notifications to the ECHA C&L Inventory.WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement) |
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| Regulatorische Informationen | Chemical: Benzene, 1,2-dimethoxy-4-(1-propenyl)-Regulation (EC) No 1831/2003 (amended)Benzene, 1,2-dimethoxy-4-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Isoeugenol ethers: Human health tier II assessment |
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| Hazard Classes and Categories | Not ClassifiedCarcinogenicity - category 2 |
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