2,6-Dimethylquinoline

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    877-43-0

    Molecular formula
    C11H11N

    SMILES
    CC1=CC2=C(C=C1)N=C(C=C2)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 68.7%
    Leathery 53.14%
    Tobacco 52.6%
    Floral 47.94%
    Herbal 46.07%
    Green 44.71%
    Earthy 43.77%
    Woody 43.0%
    Musty 38.5%
    Nutty 38.26%

     

    Flavor
    Nutty 36.79%
    Leather 32.72%
    Phenolic 32.33%
    Coffee 31.43%
    Fecal 31.25%
    Medicinal 30.23%
    Roasted 30.21%
    Tobacco 30.16%
    Cocoa 29.57%
    Musty 29.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.99 (weak acid)

    Molecular weight
    157.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 116.12 ˚C est.

  • Synonyms

    • 2,6-DIMETHYLQUINOLINE
    • 877-43-0
    • 6-Methylquinaldine
    • Quinoline, 2,6-dimethyl-
    • p-Toluquinaldine
    • 2,6-dimethyl quinoline
    • 2,6-Dimethyl-quinoline
    • UNII-KST0M1T4MB
    • KST0M1T4MB
    • MFCD00006762
    • NSC 1782
    • NSC-1782
    • EINECS 212-891-5
    • Quinoline, 2,6-dimethyl
    • AI3-03277
    • CHEMBL194502
    • DTXSID0044153
    • pToluquinaldine
    • 6Methylquinaldine
    • 26-Dimethylquinoline
    • 2.6-Dimethylquinoline
    • 26-Dimethyl-quinoline
    • Quinoline,6-dimethyl-
    • Quinoline, 2,6dimethyl
    • BIDD:GT0805
    • SCHEMBL161703
    • 2,6-Dimethylquinoline, 98%
    • DTXCID8024153
    • NSC1782
    • BBL034645
    • BDBM50159273
    • STL420576
    • AKOS000121619
    • CS-W010911
    • HY-W010195
    • SB67469
    • NCGC00334900-01
    • AS-48061
    • PD158272
    • SY016998
    • DB-057018
    • D1236
    • EU-0000308
    • NS00039217
    • EN300-17623
    • F17612
    • 6-Methylquinaldine; NSC 1782; p-Toluquinaldine
    • AB01326686-02
    • Q27282416
    • Z56969311
    • 212-891-5

  • Applications

    2,6-Dimethylquinoline (CAS 877-43-0) is used as a building block and synthetic intermediate for heterocyclic compounds across multiple industrial applications, notably as an intermediate in the manufacture of dyes and pigments and as a precursor for pharmaceutical and agrochemical compounds; it is also evaluated as a building block for polymer and plastics chemistry, and as a ligand or catalyst in polymerization processes. Additionally, its heterocyclic structure makes it a candidate for development in electronic materials and organic semiconductors. In summary, the primary applications include dye/pigment synthesis, pharmaceutical and agrochemical synthesis, polymer/plastics chemistry, and electronic materials development, with all use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.41
    methanol 30.04
    isopropanol 21.45
    water 0.24
    ethyl acetate 59.12
    n-propanol 32.65
    acetone 67.07
    n-butanol 36.13
    acetonitrile 43.11
    DMF 109.17
    toluene 64.11
    isobutanol 29.76
    1,4-dioxane 212.9
    methyl acetate 76.2
    THF 220.72
    2-butanone 79.74
    n-pentanol 40.23
    sec-butanol 28.23
    n-hexane 27.34
    ethylene glycol 9.38
    NMP 114.93
    cyclohexane 19.14
    DMSO 78.14
    n-butyl acetate 96.1
    n-octanol 27.31
    chloroform 219.13
    n-propyl acetate 62.53
    acetic acid 35.3
    dichloromethane 205.56
    cyclohexanone 112.47
    propylene glycol 9.08
    isopropyl acetate 46.24
    DMAc 145.57
    2-ethoxyethanol 63.01
    isopentanol 44.19
    n-heptane 14.88
    ethyl formate 38.54
    1,2-dichloroethane 160.81
    n-hexanol 65.34
    2-methoxyethanol 66.87
    isobutyl acetate 65.66
    tetrachloromethane 33.08
    n-pentyl acetate 53.32
    transcutol 236.51
    n-heptanol 31.37
    ethylbenzene 57.99
    MIBK 53.33
    2-propoxyethanol 105.33
    tert-butanol 38.9
    MTBE 74.86
    2-butoxyethanol 60.02
    propionic acid 32.63
    o-xylene 48.64
    formic acid 12.74
    diethyl ether 89.46
    m-xylene 46.26
    p-xylene 69.61
    chlorobenzene 78.16
    dimethyl carbonate 42.79
    n-octane 7.48
    formamide 18.27
    cyclopentanone 130.29
    2-pentanone 59.13
    anisole 104.32
    cyclopentyl methyl ether 93.65
    gamma-butyrolactone 131.92
    1-methoxy-2-propanol 48.52
    pyridine 137.16
    3-pentanone 72.5
    furfural 137.41
    n-dodecane 5.63
    diethylene glycol 59.73
    diisopropyl ether 34.43
    tert-amyl alcohol 43.11
    acetylacetone 74.35
    n-hexadecane 6.55
    acetophenone 84.36
    methyl propionate 53.38
    isopentyl acetate 101.74
    trichloroethylene 263.86
    n-nonanol 27.51
    cyclohexanol 35.34
    benzyl alcohol 55.59
    2-ethylhexanol 54.94
    isooctanol 29.37
    dipropyl ether 76.73
    1,2-dichlorobenzene 80.87
    ethyl lactate 29.02
    propylene carbonate 76.04
    n-methylformamide 33.16
    2-pentanol 24.88
    n-pentane 12.78
    1-propoxy-2-propanol 70.71
    1-methoxy-2-propyl acetate 85.93
    2-(2-methoxypropoxy) propanol 74.63
    mesitylene 33.46
    ε-caprolactone 102.67
    p-cymene 37.76
    epichlorohydrin 201.6
    1,1,1-trichloroethane 115.16
    2-aminoethanol 17.61
    morpholine-4-carbaldehyde 153.57
    sulfolane 129.0
    2,2,4-trimethylpentane 11.25
    2-methyltetrahydrofuran 136.31
    n-hexyl acetate 71.99
    isooctane 7.59
    2-(2-butoxyethoxy)ethanol 86.1
    sec-butyl acetate 56.45
    tert-butyl acetate 60.96
    decalin 19.27
    glycerin 17.87
    diglyme 171.77
    acrylic acid 33.7
    isopropyl myristate 37.59
    n-butyric acid 43.77
    acetyl acetate 52.31
    di(2-ethylhexyl) phthalate 41.52
    ethyl propionate 61.07
    nitromethane 70.67
    1,2-diethoxyethane 118.16
    benzonitrile 65.46
    trioctyl phosphate 25.82
    1-bromopropane 89.29
    gamma-valerolactone 163.95
    n-decanol 22.79
    triethyl phosphate 49.03
    4-methyl-2-pentanol 25.89
    propionitrile 52.71
    vinylene carbonate 79.21
    1,1,2-trichlorotrifluoroethane 95.3
    DMS 83.04
    cumene 44.77
    2-octanol 21.53
    2-hexanone 79.88
    octyl acetate 42.81
    limonene 46.87
    1,2-dimethoxyethane 166.72
    ethyl orthosilicate 51.04
    tributyl phosphate 36.18
    diacetone alcohol 55.78
    N,N-dimethylaniline 78.84
    acrylonitrile 58.6
    aniline 58.78
    1,3-propanediol 26.73
    bromobenzene 86.61
    dibromomethane 136.63
    1,1,2,2-tetrachloroethane 191.52
    2-methyl-cyclohexyl acetate 76.41
    tetrabutyl urea 45.02
    diisobutyl methanol 33.91
    2-phenylethanol 71.15
    styrene 63.55
    dioctyl adipate 48.18
    dimethyl sulfate 60.17
    ethyl butyrate 68.8
    methyl lactate 24.54
    butyl lactate 38.63
    diethyl carbonate 54.55
    propanediol butyl ether 37.38
    triethyl orthoformate 59.66
    p-tert-butyltoluene 36.55
    methyl 4-tert-butylbenzoate 68.8
    morpholine 159.47
    tert-butylamine 34.97
    n-dodecanol 19.4
    dimethoxymethane 92.81
    ethylene carbonate 65.51
    cyrene 67.84
    2-ethoxyethyl acetate 81.18
    2-ethylhexyl acetate 95.01
    1,2,4-trichlorobenzene 103.13
    4-methylpyridine 117.09
    dibutyl ether 63.38
    2,6-dimethyl-4-heptanol 33.91
    DEF 79.63
    dimethyl isosorbide 124.45
    tetrachloroethylene 126.26
    eugenol 70.72
    triacetin 65.23
    span 80 53.96
    1,4-butanediol 15.83
    1,1-dichloroethane 100.36
    2-methyl-1-pentanol 52.69
    methyl formate 32.99
    2-methyl-1-butanol 42.92
    n-decane 8.85
    butyronitrile 49.71
    3,7-dimethyl-1-octanol 36.86
    1-chlorooctane 33.86
    1-chlorotetradecane 16.1
    n-nonane 8.34
    undecane 6.79
    tert-butylcyclohexane 19.63
    cyclooctane 9.09
    cyclopentanol 33.6
    tetrahydropyran 147.61
    tert-amyl methyl ether 70.46
    2,5,8-trioxanonane 118.38
    1-hexene 64.2
    2-isopropoxyethanol 55.4
    2,2,2-trifluoroethanol 19.64
    methyl butyrate 71.48

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%