HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7130Erstellt: 4. November 2026
2-(2-Methylpropyl)chinolin
2-Isobutylchinolin · 2-isobutyl-quinolin · 2-ISOBUTYLQUINOLINE · ISOBUTYL QUINOLINE 2 · Quinoline, 2-isobutyl- · alpha-Isobutylquinoline · 2-(2-Methylpropyl)quinoline · 2-(2-methylpropyl)-quinolin
https://huagongshe.com/de/chemical/7130
Identifikatoren & physikalische Daten
| CAS No. | 93-19-6 |
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| Summenformel | C13H15N |
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| Durchschnittliche Molmasse | 185,26 g/mol |
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| Monoisotopische Masse | 185,12044948 g/mol |
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| SMILES | CC(C)Cc1ccc2ccccc2n1 |
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| InChIKey | FAQVGPWFQGGIPP-UHFFFAOYSA-N |
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| PubChem CID | 7130 |
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| EC No. | 202-227-2 |
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| DTXSID | DTXSID5052622 |
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| Lokaler Name | 2-(2-Methylpropyl)chinolin |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 176 |
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| Duftstoffe | Fragrance Ingredient (2-Isobutylquinoline) -> IFRA transparency List |
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| Siedepunkt | 304.5°C (estimate) |
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| Dichte | 1.0268 (estimate) |
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| Brechungsindex | 1.6153 (estimate) |
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| pKa (Säurekonstante) | 5.55±0.61(Predicted) |
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| Geruch | at 10.00 % in dipropylene glycol. animal leather woody rooty oakmoss tobacco |
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| Geruchsart | animal |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 3.951 (est) |
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| CAS Datenbank | 93-19-6(CAS DataBase Reference) |
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| EPA chemische Informationen | 2-Isobutylquinoline (93-19-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.2% (1385 of 1411) of all reports.Not ClassifiedAggregated GHS information provided per 1411 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Quinoline, 2-(2-methylpropyl)-Quinoline, 2-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Not Classified |
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| Toxizitätsübersicht | The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Isobutylquinoline as described in this fragrance ingredient safety assessment. Target data show that 2-isobutylquinoline is not genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class III material, and the exposure to 2-isobutylquinoline is below the TTC (0.0015 mg/kg/day, 0.0015 mg/kg/day, and 0.47 mg/day, respectively). Data from read-across analog quinoline (CAS # 91-22-5) show that there are no safety concerns for 2-isobutylquinoline for skin sensitization under the current declared levels of use. The photoirritation endpoint was evaluated based on data and ultraviolet/visible (UV/Vis) spectra2-isobutylquinoline is not photoirritating. 2-isobutylquinoline is not photoallergenic based on the UV/Vis spectra. |
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| Environmental Fate/Exposure Summary | The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Isobutylquinoline as described in this fragrance ingredient safety assessment. It was determined not to be Persistent, Bioaccumulative, or Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. The 2-Isobutylquinoline risk quotients (RQs), calculated based on its current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1. |
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| TSCA-Inventar-Status | TSCA listed |
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| Gefahrensymbole | T |
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