Basic information
- CAS
91-62-3- Standard SMILES
Cc1ccc2ncccc2c1- InChIKey
LUYISICIYVKBTA-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Overview
6-methylquinoline appears as clear pale yellow liquid or oil. (NTP, 1992)
Names & identifiers
- Preferred name
- 6-Methylquinoline
- IUPAC
- 6-methylquinoline
- English name
- 6-Methylquinoline
- Molecular formula
- C10H9N
- Molecular weight
- 143.19
Names & synonyms
Show more names
Database identifiers
- CAS
91-62-3- PubChem CID
- 7059
- DTXSID
DTXSID3020887- ChEMBL
CHEMBL1412508- ChEBI
CHEBI:140761- UNII
- K14453I13N
- EC Number
- 202-084-6
- Nikkaji
- J800A
Properties
Computed structural properties
- 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
Density
1.0654 at 68 °F (NTP, 1992) - Denser than water; will sink
1.060-1.066
Solubility
less than 1 mg/mL at 63 °F (NTP, 1992)
Soluble in benzene and ether; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
497.5 °F at 760 mmHg (NTP, 1992)
259.00 to 261.00 °C. @ 760.00 mm Hg
259 °C
Melting Point
-8 °F (NTP, 1992)
-22 °C
Physicochemical properties
- Melting point
- -22 °C · -22°C
- Boiling point
- 256 · 256-260 °C (lit.)
- Density
- 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.614(lit.)
- FEMA
- 2744 · 2744 | 6-METHYLQUINOLINE
- FLAVIS Number
- 14.042 · 14.042 | 6-Methylquinoline
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly), soluble in alcohol and oils, and in Propylene glycol.
- form
- Liquid
- pka
- 5.21 · 5.21±0.10(Predicted)
- color
- green-yellow
- Specific Gravity
- 1.07 · 1.07
- Odor
- blossom odor, sweet, animalic upon dilution
- biological source
- synthetic
- Odor Type
- animal
- Water Solubility
- Not miscible or difficult to mix with water.
- Sensitive
- Light Sensitive
- JECFA Number
- 1302 · 1302
- BRN
- 110336 · 110336
- Cosmetics Ingredients Functions
- 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 DataBase Reference
- 91 · 91-62-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 6 · 6-METHYLQUINOLINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14453 I13N · K14453I13N
- NIST Chemistry Reference
- 6 · Quinoline, 6-methyl-(91-62-3)
- EPA Substance Registry System
- 6 · 6-Methylquinoline (91-62-3)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H313-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P302+P352-P312-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-38-68-36/37/38
- Safety Statements
- 26 · 26-36-45-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 550000 · VC0550000
- TSCA
- TSCA listed
- HS Code
- 29334990 · 29334990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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
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.
Safety & protection
First Aid
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
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)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VC0550000
- hs_code
- 29334990
- risk_code
- 22-38-68-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-45-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H313-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralSkin Irrit. 2
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P302+P352-P312-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
Chemistry & industry
Pharmacology
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in Finnish and Japanese whiskey.
Uses6-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.
General DescriptionClear pale yellow liquid or oil with a quinoline odor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: 6-methylquinoline is a member of quinolines.
Related reactions
Compound notes
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