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HCID 64860Erstellt: 27. Oktober 2026
3,4,5-Trimethoxyhydrozimtsure
3-(3,4,5-TRIMETHOXYPHENYL)PROPANOIC ACID · AKOS BBS-00006959 · TIMTEC-BB SBB000794 · LABOTEST-BB LT00233171 · 5-Trimethoxyphenyl)propanoic acid · 3,4,5-TRIMETHOXYHYDROCINNAMIC ACID · 3,4,5-trimethoxydihydrocinnamic acid · 3,4,5-Trimethoxyphenylpropionic acid
https://huagongshe.com/de/chemical/64860
Identifikatoren & physikalische Daten
| CAS No. | 25173-72-2 |
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| Summenformel | C12H16O5 |
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| Durchschnittliche Molmasse | 240,25 g/mol |
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| Monoisotopische Masse | 240,09977361 g/mol |
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| SMILES | COc1cc(CCC(=O)O)cc(OC)c1OC |
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| InChIKey | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
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| PubChem CID | 64860 |
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| ChEMBL | CHEMBL484645 |
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| ChEBI | CHEBI:583580 |
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| EC No. | 246-706-4 |
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| DTXSID | DTXSID60179842 |
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| Lokaler Name | 3,4,5-Trimethoxyhydrozimtsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 65 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 102 - 103 °C100-104 °C (lit.) |
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| Physical Description | Solid |
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| Siedepunkt | 373℃ |
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| Dichte | 1.169 |
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| Brechungsindex | 1.5140 (estimate) |
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| Flammpunkt | 140℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | methanol: 0.1 g/mL, clear |
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| Aggregatzustand | Crystalline Powder |
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| pKa (Säurekonstante) | 4.70±0.10(Predicted) |
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| Farbe | White to almost white |
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| BRN | 1471912 |
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| InChI | InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14) |
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| InChIKey | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
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| SMILES | C1(CCC(O)=O)=CC(OC)=C(OC)C(OC)=C1 |
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| CAS Datenbank | 25173-72-2(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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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