6-Methylquinoline (HCID 7059)

Überblick

6-methylquinoline appears as clear pale yellow liquid or oil. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: 6-Methylquinoline
IUPAC: 6-methylquinoline
Lokaler Name: 6-Methyl-chinolin
Englischer Name: 6-Methylquinoline
Summenformel: C10H9N
Molmasse: 143.19

Namen und Synonyme

6-METHYLQUINOLINE91-62-3p-ToluquinolineQuinoline, 6-methyl-FEMA No. 2744DTXSID3020887NSC-4152K14453I13NDTXCID50887RefChem:105058202-084-6p-Methylquinoline

Weitere Namen anzeigen

7-bromo-6-chloroquinazolin-4(3H)-onePARA METHYL QUINOLINEFEMA 27446-methyquinoline6-Methylchinolin6-methyl-quinolin6-Methylquinoline50

6-methyl-QuinolineTolliquinoline, p-CCRIS 407NSC 4152MFCD00006804Quinoline, 6-methyl- (8CI,9CI)CAS-91-62-36-methyl quinoline

Datenbank-Bezeichner

CAS: 91-62-3
PubChem CID: 7059
DTXSID: DTXSID3020887
ChEMBL: CHEMBL1412508
ChEBI: CHEBI:140761
UNII: K14453I13N
EC Number: 202-084-6
Nikkaji: J800A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (6-Methylquinoline) -> IFRA transparency List

LogP2.57

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2 Einträge

1.0654 at 68 °F (NTP, 1992) - Denser than water; will sink

1.060-1.066

Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt: -22 °C · -22°C
Siedepunkt: 256 · 256-260 °C (lit.)
Dichte: 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
Dampfdichte: 1 · >1 (vs air)
Brechungsindex: 20 · n20/D 1.614(lit.)
FEMA: 2744 · 2744 | 6-METHYLQUINOLINE
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Methanol (Slightly), soluble in alcohol and oils, and in Propylene glycol.
Aggregatzustand: Liquid
pka: 5.21 · 5.21±0.10(Predicted)
Farbe: green-yellow
Wichte: 1.07 · 1.07
Geruch (Odor): blossom odor, sweet, animalic upon dilution
Biologische Quelle: synthetic
Geruchsart: animal
Wasserlöslichkeit: Not miscible or difficult to mix with water.
JECFA Number: 1302 · 1302
BRN: 110336 · 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: 2.54 · 2.54
CAS Datenbank: 91 · 91-62-3(CAS DataBase Reference)
NIST chemische Informationen: 6 · Quinoline, 6-methyl-(91-62-3)
EPA chemische Informationen: 6 · 6-Methylquinoline (91-62-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: 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.

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1 Eintrag

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 ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 Eintrag

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.

Nonfire Spill Response · 1 Eintrag

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) · 1 Eintrag

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)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29334990
RTECS-Nr.: VC0550000
risk_code: 22-38-68-36/37/38
hazard_code: Xn
safety_code: 26-36-45-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationQuinoline, 6-methyl-: ACTIVE

Anwendungen · 2 Einträge

OccurrenceReported found in Finnish and Japanese whiskey.

Verwenden6-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.