HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70817Erstellt: 27. Oktober 2026
1-Phenylcyclohexan-1-carbonsure
1-phenylcyclohexane-1-carboxylic acid · 1-PHENYLCYCLOHEXANECARBOXYLIC ACID · RARECHEM AL BO 1130 · TIMTEC-BB SBB005454 · 1-phenyl-1-cyclohexanecarboxylate · 1-Phenyl-1-cyclohexanecarboxylic acid · Cyclohexanecarboxylic acid, 1-phenyl- · 1-Phenyl-1-cyclohexanecarboxylicAcid>1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID 95%
https://huagongshe.com/de/chemical/70817
Identifikatoren & physikalische Daten
| CAS No. | 1135-67-7 |
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| Summenformel | C13H16O2 |
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| Durchschnittliche Molmasse | 204,26 g/mol |
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| Monoisotopische Masse | 204,11502975 g/mol |
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| SMILES | O=C(O)C1(c2ccccc2)CCCCC1 |
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| InChIKey | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
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| PubChem CID | 70817 |
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| EC No. | 214-495-8 |
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| DTXSID | DTXSID50150428 |
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| Lokaler Name | 1-Phenylcyclohexan-1-carbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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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 | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 223 |
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| Schmelzpunkt | 119-124 °C |
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| Siedepunkt | 302.76°C (rough estimate) |
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| Dichte | 1.0404 (rough estimate) |
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| Brechungsindex | 1.5180 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| pKa (Säurekonstante) | 4.45±0.20(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | Beige to brown |
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| InChI | InChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15) |
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| InChIKey | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=CC=C2)(C(O)=O)CCCCC1 |
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| CAS Datenbank | 1135-67-7(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 5 reports by companies from 2 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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| Zollcode | 29163900 |
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| Sicherheitshinweise (S) | 24/25 |
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