HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 90607Erstellt: 31. Oktober 2026
3-Phenylpropylsalicylat
Brn 2120148 · Einecs 246-458-7 · 3-phenylpropyl salicylate · Propanol, 3-phenyl-, salicylate · 3-Phenylpropyl=2-hydroxybenzoate · Salicylic acid 3-phenylpropyl ester · Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester
https://huagongshe.com/de/chemical/90607
Identifikatoren & physikalische Daten
| CAS No. | 24781-13-3 |
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| Summenformel | C16H16O3 |
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| Durchschnittliche Molmasse | 256,3 g/mol |
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| Monoisotopische Masse | 256,10994437 g/mol |
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| SMILES | O=C(OCCCc1ccccc1)c1ccccc1O |
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| InChIKey | GMHNYYKDPGWAJR-UHFFFAOYSA-N |
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| PubChem CID | 90607 |
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| EC No. | 246-458-7 |
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| DTXSID | DTXSID3067021 |
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| Lokaler Name | 3-Phenylpropylsalicylat |
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Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 271 |
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| Siedepunkt | 359.54°C (rough estimate) |
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| Dichte | 1.1320 (rough estimate) |
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| Brechungsindex | 1.5400 (estimate) |
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| Aggregatzustand | solid |
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| InChI | 1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2 |
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| InChIKey | GMHNYYKDPGWAJR-UHFFFAOYSA-N |
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| SMILES | O=C(OCCCC1=CC=CC=C1)C(C=CC=C2)=C2O |
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| LogP (Verteilungskoeffizient) | 4.840 |
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| EPA chemische Informationen | Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester (24781-13-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, 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 | Chemical: Benzoic acid, 2-hydroxy-, 3-phenylpropyl esterBenzoic acid, 2-hydroxy-, 3-phenylpropyl ester: 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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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Chronic 4 |
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