HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 99862Erstellt: 23. Oktober 2026
alpha-Methylhydrocinnamic acid
2-Methyl-3-phenylpropanoic acid · 2-Methyl-3-phenylpropionic acid · 2-Benzylpropionicacid · a-Methylhydrocinnamic · 2-Benzylpropanoic acid · a-Methylhydrocinnamic acid · α-methylhydrocinnamic acid · a-Methyldihydrocinnamic acid
https://huagongshe.com/de/chemical/99862
Identifikatoren & physikalische Daten
| CAS No. | 1009-67-2 |
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| Summenformel | C10H12O2 |
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| Durchschnittliche Molmasse | 164,2 g/mol |
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| SMILES | CC(Cc1ccccc1)C(=O)O |
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| InChIKey | MCIIDRLDHRQKPH-UHFFFAOYSA-N |
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| PubChem CID | 99862 |
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| ChEMBL | CHEMBL1741113 |
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| EC No. | 627-795-2 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 148 |
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| Schmelzpunkt | 39-41 °C(lit.) |
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| Siedepunkt | 167-168 °C23 mm Hg(lit.) |
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| Dichte | 1.065 g/mL at 25 °C(lit.) |
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| Brechungsindex | 1.5155 (estimate) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Store at room temperature |
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| Aggregatzustand | Crystalline Powder or Crystals |
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| pKa (Säurekonstante) | 4.69±0.10(Predicted) |
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| Farbe | White to light yellow |
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| InChI | InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
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| InChIKey | MCIIDRLDHRQKPH-UHFFFAOYSA-N |
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| SMILES | C1(=CC=CC=C1)CC(C)C(=O)O |
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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 40 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 | 29163900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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