HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79816Erstellt: 27. Oktober 2026
p-(Hexyloxy)benzaldehyd
FR-0729 · NSC508752 · SBB008001 · NSC 508752 · ZINC01603199 · 449067_ALDRICH · EINECS 227-251-0 · TIMTEC-BB SBB008001
https://huagongshe.com/de/chemical/79816
Identifikatoren & physikalische Daten
| CAS No. | 5736-94-7 |
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| Summenformel | C13H18O2 |
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| Durchschnittliche Molmasse | 206,28 g/mol |
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| Monoisotopische Masse | 206,13067981 g/mol |
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| SMILES | CCCCCCOc1ccc(C=O)cc1 |
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| InChIKey | GWXUVWKBVROFDM-UHFFFAOYSA-N |
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| PubChem CID | 79816 |
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| EC No. | 227-251-0 |
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| DTXSID | DTXSID0063995 |
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| Lokaler Name | p-(Hexyloxy)benzaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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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 | 7 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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| Siedepunkt | 154-155 °C6 mm Hg(lit.) |
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| Dichte | 0.992 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.529(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Liquid |
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| Wichte | 1 |
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| Farbe | Clear colorless to light yellow |
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| BRN | 1912341 |
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| InChI | InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3 |
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| InChIKey | GWXUVWKBVROFDM-UHFFFAOYSA-N |
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| SMILES | C(=O)C1=CC=C(OCCCCCC)C=C1 |
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| CAS Datenbank | 5736-94-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzaldehyde, 4-(hexyloxy)- (5736-94-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29124990 |
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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 |
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| Gefahrenklasse | IRRITANT |
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