HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 852992Erstellt: 27. Oktober 2026
(3R)-3-phenylbutanoic acid
(R)-3-Phenylbutanoic acid · (3R)-3-Phenylbutanoic acid · (R)-3-Phenylbutyric acid · (3R)-3-Phenylbutyric acid · (R)-2-Benzylpropanoic acid · (R)-3-Phenylbutyric Acid ee · [R,(-)]-2-Benzylpropionic acid · (r)-β-methylhydrocinnamic acid
https://huagongshe.com/de/chemical/852992
Identifikatoren & physikalische Daten
| CAS No. | 772-14-5 |
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| Summenformel | C10H12O2 |
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| Durchschnittliche Molmasse | 164,2 g/mol |
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| SMILES | C[C@H](CC(=O)O)c1ccccc1 |
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| InChIKey | ZZEWMYILWXCRHZ-MRVPVSSYSA-N |
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| PubChem CID | 852992 |
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| EC No. | 822-548-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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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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| Siedepunkt | 94-95 °C/0.3 mmHg (lit.) |
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| Dichte | 1.069 g/mL at 20 °C (lit.) |
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| Brechungsindex | n20/D 1.517 |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.67±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| BRN | 2501477 |
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| InChI | 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1 |
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| InChIKey | ZZEWMYILWXCRHZ-MRVPVSSYSA-N |
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| SMILES | C[C@H](CC(O)=O)c1ccccc1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Sicherheitshinweise (S) | 23-24/25 |
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| Lagerklasse | 10 - Combustible liquids |
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