HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79406Erstellt: 27. Oktober 2026
3-(4-Methoxyphenyl)propan-1-ol
NSC 5311 · 4-methoxyphenylpropanol · 4-Methoxybenzenepropanol · 4-Methoxybenzene-1-propanol · 3-(P-METHOXYPHENYL)PROPANOL · Benzenepropanol, 4-methoxy- · 3-(p-Methoxyphenyl)-1-propanol · 1-(4-Methoxyphenyl)-3-propanol
https://huagongshe.com/de/chemical/79406
Identifikatoren & physikalische Daten
| CAS No. | 5406-18-8 |
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| Summenformel | C10H14O2 |
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| Durchschnittliche Molmasse | 166,22 g/mol |
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| Monoisotopische Masse | 166,09937969 g/mol |
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| SMILES | COc1ccc(CCCO)cc1 |
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| InChIKey | NIIDHUCLROLCBU-UHFFFAOYSA-N |
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| PubChem CID | 79406 |
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| ChEBI | CHEBI:168467 |
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| EC No. | 226-463-0 |
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| DTXSID | DTXSID20202382 |
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| Lokaler Name | 3-(4-Methoxyphenyl)propan-1-ol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 29,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 106 |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | 26 °C(lit.) |
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| Siedepunkt | 164-168 °C18 mm Hg(lit.) |
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| Dichte | 1.0060 (rough estimate) |
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| Brechungsindex | n20/D 1.532(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | liquid |
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| pKa (Säurekonstante) | 15.08±0.10(Predicted) |
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| Farbe | Colourless |
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| InChI | InChI=1S/C10H14O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,2-3,8H2,1H3 |
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| InChIKey | NIIDHUCLROLCBU-UHFFFAOYSA-N |
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| SMILES | C1(CCCO)=CC=C(OC)C=C1 |
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| LogP (Verteilungskoeffizient) | 1.667 (est) |
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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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenepropanol, 4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2906190090 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 10 - Combustible liquids |
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