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HCID 175381Erstellt: 31. Oktober 2026
[3S-(3α,5α,8α)]-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethylbutyrat
guaiyl butyrate · (3S)-1,2,3,4,5,6,7,8-Octahydro-α,α,3α,8α-tetramethyl-5α-azulenemethanol butanoate · 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate · Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester · [3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate · 1-methyl-1-(1,2,3, 4,5, 6, 7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester, [3S-(3.alpha.,5.alphaButanoic acid
https://huagongshe.com/de/chemical/175381
![Molekülstruktur von [3S-(3α,5α,8α)]-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethylbutyrat](/img/chemical/175381.png)
Identifikatoren & physikalische Daten
| CAS No. | 73003-91-5 |
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| Summenformel | C19H32O2 |
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| Durchschnittliche Molmasse | 292,5 g/mol |
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| Monoisotopische Masse | 292,24023026 g/mol |
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| SMILES | CCCC(=O)OC(C)(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2 |
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| InChIKey | FZRQHSNXHSRRMX-SOUVJXGZSA-N |
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| PubChem CID | 175381 |
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| EC No. | 277-213-2 |
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| DTXSID | DTXSID10888356 |
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| Lokaler Name | [3S-(3α,5α,8α)]-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethylbutyrat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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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 | 5 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 419 |
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| Löslichkeit | Insoluble in water, soluble in alcohol and oils. |
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| Farbe | Pale yellowish or almost colorless viscous oil. |
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| Geruch | at 100.00 %. rose plum animal balsamic woody |
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| Geruchsart | balsamic |
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| LogP (Verteilungskoeffizient) | 6.793 (est) |
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| EPA chemische Informationen | Guaiyl butyrate (73003-91-5) |
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Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
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