6-Methoxyquinoline

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  • Identifiers

    CAS number
    5263-87-6

    Molecular formula
    C10H9NO

    SMILES
    COC1=CC2=C(C=C1)N=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 83.47%
    Anisic 48.49%
    Floral 47.68%
    Phenolic 45.99%
    Animal 42.62%
    Earthy 42.03%
    Nutty 41.61%
    Tobacco 39.67%
    Powdery 39.55%
    Aromatic 38.61%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.23 (weak acid)

    Molecular weight
    159.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point est.
    122.51 ˚C

    Solubility expt.

    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 6-Methoxyquinoline
    • 5263-87-6
    • Quinoline, 6-methoxy-
    • 6-Methoxy-quinoline
    • p-Quinanisole
    • Methyl 6-quinolyl ether
    • NSC 1954
    • MFCD00006800
    • UNII-5S1U3125AD
    • CHEBI:72822
    • 5S1U3125AD
    • NSC-1954
    • EINECS 226-077-2
    • CHEMBL15200
    • AI3-16316
    • DTXSID9063746
    • FEMA NO. 4640
    • 6-methoxyquinolin
    • 6-methoxy quinoline
    • Quinoline, 6methoxy
    • Methyl 6quinolyl ether
    • 6-Methoxyquinoline, 98%
    • SCHEMBL219324
    • WLN: T66 BNJ HO1
    • DTXCID0041224
    • SCHEMBL12015264
    • NSC1954
    • STR09836
    • BBL027610
    • BDBM50047014
    • STL352112
    • AKOS000121104
    • CS-W017948
    • FM25354
    • FS-3598
    • HY-W017232
    • SB67501
    • AC-18179
    • AC-37038
    • SY012831
    • DB-029317
    • M0891
    • NS00014569
    • EN300-23867
    • H10211
    • Q27140168
    • Z166628264

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.41
    methanol 53.87
    isopropanol 44.47
    water 0.94
    ethyl acetate 185.61
    n-propanol 63.82
    acetone 98.15
    n-butanol 60.4
    acetonitrile 165.74
    DMF 120.24
    toluene 90.61
    isobutanol 53.31
    1,4-dioxane 362.94
    methyl acetate 163.59
    THF 249.56
    2-butanone 110.07
    n-pentanol 53.04
    sec-butanol 45.94
    n-hexane 6.36
    ethylene glycol 26.19
    NMP 63.45
    cyclohexane 14.59
    DMSO 175.57
    n-butyl acetate 86.97
    n-octanol 19.85
    chloroform 461.9
    n-propyl acetate 96.16
    acetic acid 127.98
    dichloromethane 683.62
    cyclohexanone 133.33
    propylene glycol 14.02
    isopropyl acetate 72.94
    DMAc 113.22
    2-ethoxyethanol 127.92
    isopentanol 60.94
    n-heptane 12.09
    ethyl formate 107.47
    1,2-dichloroethane 435.98
    n-hexanol 50.67
    2-methoxyethanol 150.24
    isobutyl acetate 57.7
    tetrachloromethane 60.21
    n-pentyl acetate 40.74
    transcutol 360.71
    n-heptanol 23.27
    ethylbenzene 44.44
    MIBK 52.28
    2-propoxyethanol 104.58
    tert-butanol 77.78
    MTBE 73.47
    2-butoxyethanol 57.2
    propionic acid 78.12
    o-xylene 55.75
    formic acid 51.91
    diethyl ether 137.92
    m-xylene 54.18
    p-xylene 57.39
    chlorobenzene 100.35
    dimethyl carbonate 61.2
    n-octane 5.15
    formamide 106.58
    cyclopentanone 132.81
    2-pentanone 79.89
    anisole 103.33
    cyclopentyl methyl ether 107.33
    gamma-butyrolactone 200.74
    1-methoxy-2-propanol 73.71
    pyridine 261.36
    3-pentanone 81.98
    furfural 220.05
    n-dodecane 4.38
    diethylene glycol 89.81
    diisopropyl ether 28.87
    tert-amyl alcohol 58.23
    acetylacetone 112.01
    n-hexadecane 4.96
    acetophenone 80.92
    methyl propionate 110.28
    isopentyl acetate 70.77
    trichloroethylene 616.64
    n-nonanol 21.25
    cyclohexanol 55.25
    benzyl alcohol 71.1
    2-ethylhexanol 36.54
    isooctanol 22.32
    dipropyl ether 70.41
    1,2-dichlorobenzene 91.15
    ethyl lactate 34.26
    propylene carbonate 100.92
    n-methylformamide 82.53
    2-pentanol 35.49
    n-pentane 7.51
    1-propoxy-2-propanol 59.5
    1-methoxy-2-propyl acetate 76.44
    2-(2-methoxypropoxy) propanol 63.84
    mesitylene 31.14
    ε-caprolactone 122.6
    p-cymene 29.13
    epichlorohydrin 367.82
    1,1,1-trichloroethane 238.87
    2-aminoethanol 42.08
    morpholine-4-carbaldehyde 176.46
    sulfolane 146.91
    2,2,4-trimethylpentane 5.75
    2-methyltetrahydrofuran 178.87
    n-hexyl acetate 50.57
    isooctane 3.95
    2-(2-butoxyethoxy)ethanol 86.38
    sec-butyl acetate 60.03
    tert-butyl acetate 67.2
    decalin 10.1
    glycerin 36.33
    diglyme 207.65
    acrylic acid 76.93
    isopropyl myristate 26.5
    n-butyric acid 100.12
    acetyl acetate 109.58
    di(2-ethylhexyl) phthalate 26.92
    ethyl propionate 91.21
    nitromethane 245.29
    1,2-diethoxyethane 128.7
    benzonitrile 94.82
    trioctyl phosphate 17.4
    1-bromopropane 140.5
    gamma-valerolactone 190.42
    n-decanol 17.71
    triethyl phosphate 43.96
    4-methyl-2-pentanol 25.75
    propionitrile 129.26
    vinylene carbonate 127.36
    1,1,2-trichlorotrifluoroethane 152.81
    DMS 68.92
    cumene 32.3
    2-octanol 14.76
    2-hexanone 73.25
    octyl acetate 30.07
    limonene 35.55
    1,2-dimethoxyethane 244.02
    ethyl orthosilicate 43.85
    tributyl phosphate 24.54
    diacetone alcohol 63.87
    N,N-dimethylaniline 62.82
    acrylonitrile 161.28
    aniline 102.56
    1,3-propanediol 68.75
    bromobenzene 113.14
    dibromomethane 366.13
    1,1,2,2-tetrachloroethane 335.58
    2-methyl-cyclohexyl acetate 58.45
    tetrabutyl urea 31.12
    diisobutyl methanol 26.15
    2-phenylethanol 60.97
    styrene 54.51
    dioctyl adipate 40.84
    dimethyl sulfate 75.46
    ethyl butyrate 85.21
    methyl lactate 31.97
    butyl lactate 27.66
    diethyl carbonate 68.76
    propanediol butyl ether 31.33
    triethyl orthoformate 57.46
    p-tert-butyltoluene 25.7
    methyl 4-tert-butylbenzoate 56.08
    morpholine 267.74
    tert-butylamine 49.53
    n-dodecanol 15.37
    dimethoxymethane 143.73
    ethylene carbonate 104.15
    cyrene 65.43
    2-ethoxyethyl acetate 78.68
    2-ethylhexyl acetate 58.75
    1,2,4-trichlorobenzene 104.15
    4-methylpyridine 168.23
    dibutyl ether 47.95
    2,6-dimethyl-4-heptanol 26.15
    DEF 108.04
    dimethyl isosorbide 118.97
    tetrachloroethylene 267.8
    eugenol 58.43
    triacetin 63.25
    span 80 41.96
    1,4-butanediol 29.35
    1,1-dichloroethane 245.45
    2-methyl-1-pentanol 54.97
    methyl formate 81.62
    2-methyl-1-butanol 55.79
    n-decane 6.35
    butyronitrile 101.94
    3,7-dimethyl-1-octanol 26.84
    1-chlorooctane 22.95
    1-chlorotetradecane 11.34
    n-nonane 5.76
    undecane 5.14
    tert-butylcyclohexane 9.05
    cyclooctane 5.81
    cyclopentanol 51.34
    tetrahydropyran 211.52
    tert-amyl methyl ether 56.94
    2,5,8-trioxanonane 136.72
    1-hexene 29.91
    2-isopropoxyethanol 84.63
    2,2,2-trifluoroethanol 63.84
    methyl butyrate 104.26

    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