HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methyl-chinolin
7-bromo-6-chloroquinazolin-4(3H)-one · PARA METHYL QUINOLINE · FEMA 2744 · P-TOLUQUINOLINE · 6-methyquinoline · 6-Methylchinolin · 6-METHYLQUINOLINE · p-Methylquinoline
Identifikatoren & physikalische Daten
| CAS No. | 91-62-3 |
|---|---|
| Summenformel | C10H9N |
| Durchschnittliche Molmasse | 143,18 g/mol |
| Monoisotopische Masse | 143,07349929 g/mol |
| SMILES | Cc1ccc2ncccc2c1 |
| InChIKey | LUYISICIYVKBTA-UHFFFAOYSA-N |
| PubChem CID | 7059 |
| ChEMBL | CHEMBL1412508 |
| ChEBI | CHEBI:140761 |
| EC No. | 202-084-6 |
| DTXSID | DTXSID3020887 |
| Lokaler Name | 6-Methyl-chinolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (6-Methylquinoline) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.57 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.0654 at 68 °F (NTP, 1992) - Denser than waterwill sink1.060-1.0661.067 g/mL at 20 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | less than 1 mg/mL at 63 °F (NTP, 1992)Soluble in benzene and etherSlightly soluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly), soluble in alcohol and oils, and in Propylene glycol.Not miscible or difficult to mix with water. |
| Flammpunkt | greater than 235 °F (NTP, 1992)>230 °F |
| Siedepunkt | 497.5 °F at 760 mmHg (NTP, 1992)259.00 to 261.00 °C. @ 760.00 mm Hg259 °C256-260 °C (lit.) |
| Schmelzpunkt | -8 °F (NTP, 1992)-22 °C-22°C |
| Dampfdruck | 3 mmHg at 75 °F5.6 mmHg at 111 °F10.5 mmHg at 149 °F (NTP, 1992) |
| Brechungsindex | 1.611-1.617n20/D 1.614(lit.) |
| Dampfdichte | >1 (vs air) |
| FEMA | 2744 | 6-METHYLQUINOLINE |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 5.21±0.10(Predicted) |
| Farbe | green-yellow |
| Wichte | 1.07 |
| Geruch | blossom odor, sweet, animalic upon dilution |
| Biologische Quelle | synthetic |
| Geruchsart | animal |
| JECFA Number | 1302 |
| BRN | 110336 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3 |
| InChIKey | LUYISICIYVKBTA-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ncccc2c1 |
| LogP (Verteilungskoeffizient) | 2.54 |
| CAS Datenbank | 91-62-3(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 6-methyl-(91-62-3) |
| EPA chemische Informationen | 6-Methylquinoline (91-62-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 1647 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Quinoline, 6-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)6-Methylquinoline: Does not have an individual approval but may be used under an appropriate group standard |
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: This compound may be absorbed through the skin and it causes skin irritation. The vapor or mist is irritating to the eyes, mucous membranes and upper respiratory tract. |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 6-METHYLQUINOLINE is sensitive to prolonged exposure to light. May react vigorously with strong oxidizing agents and strong acids (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334990 |
| RTECS-Nr. | VC0550000 |
| R-Sätze (R) | 22-38-68-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralSkin Irrit. 2 |
Anwendungen & Verwendung
Occurrence
Reported found in Finnish and Japanese whiskey.
Verwenden
6-Methylquinoline can be used as primary carbon source in culture of Pseudomonas putida QP1. 6-Methylquinoline was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and fluorescent probes for determination of chloride in biological systems.