HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80652Erstellt: 24. Oktober 2026
3-(o-Methoxyphenyl)propionic acid
AKOS BC-2706 · 3-(2-Methoxyphenyl · TIMTEC-BB SBB003749 · guaiacylpropionic acid · O-METHOXYHYDROCINNAMIC ACID · 2-METHOXYHYDROCINNAMIC ACID · 3-(2-methoxyphenyl)propanoate · 2-Methoxybenzenepropionic acid
https://huagongshe.com/de/chemical/80652
Identifikatoren & physikalische Daten
| CAS No. | 25173-35-7 |
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| Summenformel | C10H12O3 |
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| Durchschnittliche Molmasse | 180,2 g/mol |
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| Monoisotopische Masse | 180,07864424 g/mol |
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| SMILES | COc1ccccc1CCC(=O)O |
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| InChIKey | XSZSNLOPIWWFHS-UHFFFAOYSA-N |
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| PubChem CID | 80652 |
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| ChEMBL | CHEMBL1901006 |
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| ChEBI | CHEBI:194956 |
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| EC No. | 228-738-0 |
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| DTXSID | DTXSID20901606 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 4 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 168 |
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| Schmelzpunkt | 85-87 °C (lit.) |
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| Siedepunkt | 273.02°C (rough estimate) |
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| Dichte | 1.1272 (rough estimate) |
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| Brechungsindex | 1.5160 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | pK1:4.804 (25°C) |
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| BRN | 2097012 |
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| InChI | InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
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| InChIKey | XSZSNLOPIWWFHS-UHFFFAOYSA-N |
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| SMILES | C1(CCC(O)=O)=CC=CC=C1OC |
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| CAS Datenbank | 6342-77-4(CAS DataBase Reference) |
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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)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. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29189990 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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