2-Methylquinoline
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Basic information
- CAS
27601-00-9- Standard SMILES
Cc1ccc2ccccc2n1- InChIKey
SMUQFGGVLNAIOZ-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Overview
Quinaldine appears as a colorless oily liquid darkening to red-brown on exposure to air. Flash point 175 °F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.
Names & identifiers
- Preferred name
- 2-Methylquinoline
- IUPAC
- 2-methylquinoline
- English name
- Quinaldine
- Molecular formula
- C10H9N
- Molecular weight
- 143.19
Names & synonyms
2-METHYLQUINOLINEQuinaldine91-63-4KhinaldinChinaldineQuinoline, 2-methyl-DTXSID3040271NSC-3397DVG30M0M87CHEBI:132813DTXCID1020271RefChem:910109
Show more names
QuinaL2-Quinaldine2-Methylpuinoiline2-METHYLQUINOLINESQuildine
202-085-1Methylquinoline2-Methyl-quinoline2-MethylchinolinCCRIS 1155NSC 3397EINECS 202-085-1BRN 0110309
Database identifiers
- CAS
27601-00-9、91-63-4- PubChem CID
- 7060
- DTXSID
DTXSID3040271- ChEMBL
CHEMBL194931- ChEBI
CHEBI:132813- UNII
- DVG30M0M87
- EC Number
- 202-085-1、639-559-6
- Nikkaji
- J4.343E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Methyl quinoline) -> IFRA transparency List
LogP2.59
Density1.0585 at 68 °F (NTP, 1992) - Denser than water; will sink
Flash Point175 °F (NTP, 1992)
Boiling Point
477.7 °F at 760 mmHg (NTP, 1992)
246.00 to 248.00 °C. @ 760.00 mm Hg
Melting Point
28 °F (NTP, 1992)
-1.5 °C
Vapor Pressure0.00946 [mmHg]
Physical Description
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302+H312 (26.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 392 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Quinoline, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Quinoline, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quinoline, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17554
Quinaldine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Quinolines: Human health tier II assessment
Fire HazardsThis compound is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Acute exposure to this compound will result in irritation to skin and mucous membranes.
Hazards SummaryA mild skin irritant; [RTECS] A skin and mucous membrane irritant; [NTP] A skin and strong eye irritant; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Quinoline.
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesFound in coal tar; Used to transport fish (anesthetic); [Merck Index] Used to make dyes, pharmaceuticals, fine organic chemicals, and acid-base indicators; [NTP]
U.S. Production2023: 50,000 - <75,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationFragrance Ingredients
General Manufacturing Information
Not Known or Reasonably Ascertainable
Quinoline, 2-methyl-: ACTIVE
Applications
UsesQuinaldine is an anaesthetic used in fish transportation. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.
UsesIt is an anaesthetic used in fish transportation. Used in preparation of oil-soluble dyes. Also used in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.
General DescriptionA colorless oily liquid darkening to red-brown on exposure to air. Flash point 175°F. Denser than water and slightly soluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make dyes, pharmaceuticals and other chemicals.
Upstream & downstream products
Upstream raw materials
Related reactions
97 records
Compound notes
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