5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline

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  • Identifiers

    CAS number
    7630-74-2

    Molecular formula
    C19H19NO2

    SMILES
    CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 41.36%
    Musk 40.09%
    Sweet 38.19%
    Fruity 36.2%
    Powdery 34.78%
    Animal 34.51%
    Phenolic 32.68%
    Vanilla 27.69%
    Spicy 27.11%
    Dry 22.9%

     

    Flavor
    Bitter 91.78%
    Parsley 20.3%
    Very strong 20.06%
    Cedarleaf 19.98%
    Indole 19.82%
    Sweet-like 19.02%
    Cereal 18.81%
    Lovage 18.79%
    Ripe apricot 18.7%
    Eugenol 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.2 (neutral)

    Molecular weight
    293.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    618°C

    Melting point expt.

    • 130 - 131 °C

    Flash point

    • 207.09 ˚C est.

  • Synonyms

    • Dehydronuciferine
    • 7630-74-2
    • 5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline
    • 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene
    • Y87HRZ3K29
    • DTXSID801183819
    • 5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
    • 15,16-dimethoxy-10-methyl-10-azatetracyclo(7.7.1.0^(2,7).0^(13,17))heptadeca-1(16),2,4,6,8,13(17),14-heptaene
    • 15,16-dimethoxy-10-methyl-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2,4,6,8,13,15-heptaene
    • 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2,4,6,8,13(17),14-heptaene
    • RefChem:1072185
    • DTXCID901615154
    • Dehydronuciferin
    • 1,2-Dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline
    • Nuciferine, 10a,11-dehydro-
    • orb1297559
    • CHEMBL2316501
    • SCHEMBL30789241
    • CHEBI:174097
    • HY-N4261
    • NSC785154
    • ZB1875
    • AKOS037515219
    • EBC-616634
    • NSC-785154
    • AC-34648
    • DA-52413
    • MS-24198
    • Aporphine, 6a,7-didehydro-1,2-dimethoxy-
    • CS-0032561
    • F82186
    • AE-508/21135042
    • 4H-Dibenzo[de,g]quinoline, 5,6-dihydro-1,2-dimethoxy-6-methyl-
    • 15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,13,15-heptaene
    • 7630-74-2

  • Applications

    5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline (CAS 7630-74-2) is primarily used as an advanced building block in the synthesis of quinoline-based heterocycles for pharmaceutical research; it also serves as a precursor to organic dyes and colorants for coatings and inks; it can function as a core scaffold for organic electronic or photonic materials, and is considered a rigid aromatic building block in polymer and resin formulations to enhance thermal and mechanical properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.25
    methanol 15.67
    isopropanol 10.91
    water 0.06
    ethyl acetate 39.02
    n-propanol 20.3
    acetone 41.4
    n-butanol 20.17
    acetonitrile 13.13
    DMF 91.72
    toluene 22.07
    isobutanol 16.15
    1,4-dioxane 84.95
    methyl acetate 41.77
    THF 88.41
    2-butanone 41.39
    n-pentanol 21.04
    sec-butanol 9.65
    n-hexane 1.51
    ethylene glycol 9.96
    NMP 95.17
    cyclohexane 5.4
    DMSO 56.53
    n-butyl acetate 47.75
    n-octanol 11.94
    chloroform 206.83
    n-propyl acetate 49.35
    acetic acid 45.69
    dichloromethane 222.78
    cyclohexanone 94.55
    propylene glycol 4.27
    isopropyl acetate 28.67
    DMAc 79.5
    2-ethoxyethanol 49.03
    isopentanol 21.54
    n-heptane 2.24
    ethyl formate 53.66
    1,2-dichloroethane 145.39
    n-hexanol 26.55
    2-methoxyethanol 54.29
    isobutyl acetate 43.19
    tetrachloromethane 33.68
    n-pentyl acetate 47.69
    transcutol 80.93
    n-heptanol 21.29
    ethylbenzene 18.45
    MIBK 27.57
    2-propoxyethanol 68.72
    tert-butanol 12.18
    MTBE 11.21
    2-butoxyethanol 51.07
    propionic acid 30.67
    o-xylene 18.54
    formic acid 19.8
    diethyl ether 20.91
    m-xylene 16.97
    p-xylene 26.47
    chlorobenzene 55.72
    dimethyl carbonate 40.55
    n-octane 1.76
    formamide 34.2
    cyclopentanone 101.82
    2-pentanone 35.06
    anisole 31.67
    cyclopentyl methyl ether 37.11
    gamma-butyrolactone 127.81
    1-methoxy-2-propanol 28.99
    pyridine 102.47
    3-pentanone 31.8
    furfural 151.34
    n-dodecane 1.55
    diethylene glycol 58.8
    diisopropyl ether 7.45
    tert-amyl alcohol 10.64
    acetylacetone 49.21
    n-hexadecane 1.86
    acetophenone 51.86
    methyl propionate 39.72
    isopentyl acetate 49.04
    trichloroethylene 294.17
    n-nonanol 13.22
    cyclohexanol 23.9
    benzyl alcohol 44.94
    2-ethylhexanol 22.05
    isooctanol 19.58
    dipropyl ether 18.36
    1,2-dichlorobenzene 66.08
    ethyl lactate 25.23
    propylene carbonate 77.37
    n-methylformamide 47.4
    2-pentanol 10.13
    n-pentane 1.64
    1-propoxy-2-propanol 31.72
    1-methoxy-2-propyl acetate 48.1
    2-(2-methoxypropoxy) propanol 33.05
    mesitylene 12.24
    ε-caprolactone 91.98
    p-cymene 16.85
    epichlorohydrin 163.96
    1,1,1-trichloroethane 79.73
    2-aminoethanol 14.83
    morpholine-4-carbaldehyde 118.67
    sulfolane 115.49
    2,2,4-trimethylpentane 1.42
    2-methyltetrahydrofuran 47.95
    n-hexyl acetate 37.25
    isooctane 1.2
    2-(2-butoxyethoxy)ethanol 45.09
    sec-butyl acetate 31.46
    tert-butyl acetate 28.02
    decalin 4.1
    glycerin 13.38
    diglyme 94.05
    acrylic acid 41.8
    isopropyl myristate 16.22
    n-butyric acid 44.59
    acetyl acetate 40.27
    di(2-ethylhexyl) phthalate 25.83
    ethyl propionate 34.57
    nitromethane 76.32
    1,2-diethoxyethane 40.09
    benzonitrile 53.0
    trioctyl phosphate 17.83
    1-bromopropane 39.37
    gamma-valerolactone 154.52
    n-decanol 10.41
    triethyl phosphate 30.55
    4-methyl-2-pentanol 10.11
    propionitrile 21.66
    vinylene carbonate 103.51
    1,1,2-trichlorotrifluoroethane 139.04
    DMS 51.09
    cumene 16.93
    2-octanol 11.57
    2-hexanone 39.66
    octyl acetate 21.16
    limonene 17.98
    1,2-dimethoxyethane 79.75
    ethyl orthosilicate 29.27
    tributyl phosphate 20.14
    diacetone alcohol 31.45
    N,N-dimethylaniline 27.55
    acrylonitrile 37.01
    aniline 35.04
    1,3-propanediol 25.22
    bromobenzene 56.08
    dibromomethane 115.15
    1,1,2,2-tetrachloroethane 183.58
    2-methyl-cyclohexyl acetate 46.04
    tetrabutyl urea 26.54
    diisobutyl methanol 12.12
    2-phenylethanol 54.45
    styrene 21.57
    dioctyl adipate 29.16
    dimethyl sulfate 59.31
    ethyl butyrate 38.3
    methyl lactate 22.76
    butyl lactate 31.44
    diethyl carbonate 35.35
    propanediol butyl ether 22.41
    triethyl orthoformate 32.87
    p-tert-butyltoluene 13.87
    methyl 4-tert-butylbenzoate 43.34
    morpholine 81.67
    tert-butylamine 7.61
    n-dodecanol 8.28
    dimethoxymethane 65.55
    ethylene carbonate 79.43
    cyrene 57.06
    2-ethoxyethyl acetate 67.01
    2-ethylhexyl acetate 43.63
    1,2,4-trichlorobenzene 76.72
    4-methylpyridine 69.14
    dibutyl ether 14.29
    2,6-dimethyl-4-heptanol 12.12
    DEF 54.19
    dimethyl isosorbide 71.11
    tetrachloroethylene 168.03
    eugenol 49.78
    triacetin 42.52
    span 80 28.83
    1,4-butanediol 13.43
    1,1-dichloroethane 61.54
    2-methyl-1-pentanol 23.62
    methyl formate 54.94
    2-methyl-1-butanol 18.68
    n-decane 2.36
    butyronitrile 23.71
    3,7-dimethyl-1-octanol 12.97
    1-chlorooctane 10.4
    1-chlorotetradecane 5.22
    n-nonane 1.92
    undecane 1.84
    tert-butylcyclohexane 3.26
    cyclooctane 2.06
    cyclopentanol 23.18
    tetrahydropyran 58.75
    tert-amyl methyl ether 10.95
    2,5,8-trioxanonane 63.46
    1-hexene 7.54
    2-isopropoxyethanol 37.17
    2,2,2-trifluoroethanol 30.53
    methyl butyrate 51.05

    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