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HCID 250077Erstellt: 26. Oktober 2026
4-Isopropoxybenzaldehyde
NSC 69072 · AKOS 226-45 · AKOS B000275 · AKOS BC-2523 · ALDH1A3-IN-3 · ASISCHEM R42745 · BUTTPARK 32\08-27 · 4-IsopropoxybenzaL
https://huagongshe.com/de/chemical/250077
Identifikatoren & physikalische Daten
| CAS No. | 18962-05-5 |
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| Summenformel | C10H12O2 |
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| Durchschnittliche Molmasse | 164,2 g/mol |
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| Monoisotopische Masse | 164,08372962 g/mol |
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| SMILES | CC(C)Oc1ccc(C=O)cc1 |
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| InChIKey | WDANSDASCKBVKH-UHFFFAOYSA-N |
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| PubChem CID | 250077 |
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| ChEMBL | CHEMBL5075900 |
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| EC No. | 606-183-9 |
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| DTXSID | DTXSID50290510 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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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 | 135 |
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| Schmelzpunkt | 167 °C |
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| Siedepunkt | 108-110 °C (5 mmHg) |
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| Dichte | 1.036 |
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| Brechungsindex | 1.545-1.547 |
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| Flammpunkt | 108-110°C/5mm |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light orange to Yellow |
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| BRN | 742921 |
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| InChI | InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
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| InChIKey | WDANSDASCKBVKH-UHFFFAOYSA-N |
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| SMILES | C(=O)C1=CC=C(OC(C)C)C=C1 |
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| CAS Datenbank | 18962-05-5(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 6 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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| Zollcode | 2912490090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 37/39-26-36 |
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| Gefahrenklasse | IRRITANT |
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