HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Isobutyl)chinolin
ISOBUTYL QUINOLINE · 6-Isobutylquinoline · (2-methylpropyl)-Quinoline · 4-(2-methylpropyl)quinoline · Quinoline,(2-methylpropyl)- · QUINOLINE, 6-SECONDARY BUTYL
Identifikatoren & physikalische Daten
| CAS No. | 1333-58-0 |
|---|---|
| Summenformel | C13H15N |
| Durchschnittliche Molmasse | 185,26 g/mol |
| Monoisotopische Masse | 185,12044948 g/mol |
| SMILES | CC(C)Cc1ccnc2ccccc12 |
| InChIKey | ZFIHCQGXRHANID-UHFFFAOYSA-N |
| PubChem CID | 74005 |
| EC No. | 215-598-0 |
| DTXSID | DTXSID80892309 |
| Lokaler Name | (Isobutyl)chinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 176 |
| Duftstoffe | Fragrance Ingredient (2-(Methylpropyl)quinoline) -> IFRA transparency List |
| Geruch | at 1.00 % in dipropylene glycol. leather animal herbal green |
| Geruchsart | animal |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 4.185 |
| EPA chemische Informationen | Quinoline, (2-methylpropyl)- (1333-58-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 54.3% (50 of 92) of all reports.WarningH302 (45.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Quinoline, (2-methylpropyl)- |
| Hazard Classes and Categories | Acute Tox. 4 (45.7%) |
| Toxizitätsübersicht | The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-(Methylpropyl)quinoline as described in this fragrance ingredient safety assessment. Data from read-across analog 2-isobutylquinoline (CAS # 93-19-6) show that 2-(methylpropyl)quinoline is not expected to be 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-(methylpropyl)quinoline 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-(methylpropyl)quinoline for skin sensitization under the current declared levels of use. The photoirritation/photoallergenicity endpoints were evaluated based on ultraviolet/visible (UV/Vis) spectra2-(methylpropyl)quinoline is not expected to be photoirritating/photoallergenic. |
| Environmental Fate/Exposure Summary | The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-(Methylpropyl)quinoline as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) as per the International Fragrance Association (IFRA) Environmental Standards, and its risk quotients, 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. |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | The acute oral LD50 value in rats was reported as 1.02 g/kg (0.78-1.26 g/kg) (Moreno, 1973). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Moreno, 1973). |
Anwendungen & Verwendung
Occurrence
Has apparently not been reported to occur in nature
Herstellung & Synthese
synthetische
From acrolein and secondary butylaniline followed by dehydration and oxidation