4H-Dibenzo(de,g)quinoline-2,7-diol, 5,6,6a,7-tetrahydro-1-methoxy-, (6aS,7R)-

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  • Identifiers

    CAS number
    77410-38-9

    Molecular formula
    C17H17NO3

    SMILES
    COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4[C@H]3O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.4%
    Phenolic 36.88%
    Vanilla 34.2%
    Sweet 26.22%
    Smoky 24.93%
    Spicy 24.37%
    Burnt 23.82%
    Animal 22.52%
    Balsamic 20.21%
    Savory 19.9%

     

    Flavor
    Bitter 93.99%
    Sweet-like 21.35%
    Bland 21.13%
    Cedarleaf 20.02%
    Odorless 19.71%
    Very strong 19.16%
    Indole 19.11%
    Alkaline 18.67%
    Lovage 18.58%
    Cereal 18.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.53 (weak base)

    Molecular weight
    283.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    820°C

    Flash point

    • 241.05 ˚C est.

  • Synonyms

    • 4H-Dibenzo(de,g)quinoline-2,7-diol, 5,6,6a,7-tetrahydro-1-methoxy-, (6aS,7R)-
    • 77410-38-9
    • DTXSID20228123
    • (6aS,7R)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
    • 77410-38-9

  • Applications

    Chemical name: 4H-Dibenzo(de,g)quinoline-2,7-diol, 5,6,6a,7-tetrahydro-1-methoxy-, (6aS,7R)-; CAS number: 77410-38-9 is primarily used as an organic-synthesis intermediate and heterocyclic building block in pharmaceutical and specialty chemicals research. It is commonly employed as a scaffold for the preparation of substituted quinoline derivatives, supporting development of pharmaceutical and agrochemical candidates. The compound can serve as a precursor to dyes, pigments, and optically active materials, including quinoline-based chromophores for specialty inks, coatings, and electronic materials. The presence of two phenolic OH groups enables further functionalization (etherification, esterification) and makes it useful in polymer chemistry as a building block for functionalized polymers or crosslinking chemistries in coatings, adhesives, or advanced materials. In electronic-materials research, it may be evaluated as a component in organic semiconductors or OLED-related chemistries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.03
    methanol 5.49
    isopropanol 1.59
    water 0.16
    ethyl acetate 1.94
    n-propanol 1.92
    acetone 3.03
    n-butanol 2.1
    acetonitrile 0.91
    DMF 24.11
    toluene 1.03
    isobutanol 1.35
    1,4-dioxane 6.07
    methyl acetate 1.41
    THF 9.85
    2-butanone 2.1
    n-pentanol 2.22
    sec-butanol 0.71
    n-hexane 0.04
    ethylene glycol 7.43
    NMP 20.25
    cyclohexane 0.11
    DMSO 28.87
    n-butyl acetate 3.44
    n-octanol 3.19
    chloroform 2.97
    n-propyl acetate 2.57
    acetic acid 9.59
    dichloromethane 3.25
    cyclohexanone 10.12
    propylene glycol 1.93
    isopropyl acetate 2.05
    DMAc 18.92
    2-ethoxyethanol 9.81
    isopentanol 2.56
    n-heptane 0.16
    ethyl formate 4.45
    1,2-dichloroethane 3.28
    n-hexanol 3.72
    2-methoxyethanol 18.01
    isobutyl acetate 2.41
    tetrachloromethane 0.83
    n-pentyl acetate 5.6
    transcutol 16.48
    n-heptanol 5.3
    ethylbenzene 0.96
    MIBK 2.83
    2-propoxyethanol 16.22
    tert-butanol 2.01
    MTBE 0.5
    2-butoxyethanol 14.66
    propionic acid 2.7
    o-xylene 1.26
    formic acid 15.44
    diethyl ether 0.71
    m-xylene 1.41
    p-xylene 1.2
    chlorobenzene 2.2
    dimethyl carbonate 4.86
    n-octane 0.16
    formamide 18.58
    cyclopentanone 11.46
    2-pentanone 2.73
    anisole 2.3
    cyclopentyl methyl ether 2.92
    gamma-butyrolactone 13.03
    1-methoxy-2-propanol 10.04
    pyridine 6.77
    3-pentanone 1.61
    furfural 23.05
    n-dodecane 0.19
    diethylene glycol 24.56
    diisopropyl ether 0.42
    tert-amyl alcohol 0.98
    acetylacetone 5.85
    n-hexadecane 0.23
    acetophenone 5.95
    methyl propionate 2.45
    isopentyl acetate 4.09
    trichloroethylene 8.17
    n-nonanol 3.61
    cyclohexanol 2.51
    benzyl alcohol 6.05
    2-ethylhexanol 2.7
    isooctanol 4.24
    dipropyl ether 1.61
    1,2-dichlorobenzene 3.42
    ethyl lactate 4.98
    propylene carbonate 8.09
    n-methylformamide 11.25
    2-pentanol 0.92
    n-pentane 0.05
    1-propoxy-2-propanol 8.05
    1-methoxy-2-propyl acetate 6.84
    2-(2-methoxypropoxy) propanol 9.05
    mesitylene 1.07
    ε-caprolactone 8.4
    p-cymene 1.74
    epichlorohydrin 12.92
    1,1,1-trichloroethane 1.29
    2-aminoethanol 5.43
    morpholine-4-carbaldehyde 24.94
    sulfolane 25.9
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 2.68
    n-hexyl acetate 5.26
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 13.53
    sec-butyl acetate 1.71
    tert-butyl acetate 2.64
    decalin 0.15
    glycerin 12.75
    diglyme 22.17
    acrylic acid 5.5
    isopropyl myristate 2.49
    n-butyric acid 4.91
    acetyl acetate 2.93
    di(2-ethylhexyl) phthalate 5.11
    ethyl propionate 2.2
    nitromethane 11.17
    1,2-diethoxyethane 4.17
    benzonitrile 5.71
    trioctyl phosphate 4.32
    1-bromopropane 0.69
    gamma-valerolactone 24.3
    n-decanol 2.7
    triethyl phosphate 3.34
    4-methyl-2-pentanol 1.26
    propionitrile 1.27
    vinylene carbonate 9.97
    1,1,2-trichlorotrifluoroethane 26.51
    DMS 4.93
    cumene 1.02
    2-octanol 2.61
    2-hexanone 2.9
    octyl acetate 3.49
    limonene 1.79
    1,2-dimethoxyethane 11.87
    ethyl orthosilicate 3.17
    tributyl phosphate 3.57
    diacetone alcohol 6.52
    N,N-dimethylaniline 3.01
    acrylonitrile 3.08
    aniline 3.14
    1,3-propanediol 8.79
    bromobenzene 1.63
    dibromomethane 1.47
    1,1,2,2-tetrachloroethane 6.66
    2-methyl-cyclohexyl acetate 4.58
    tetrabutyl urea 6.15
    diisobutyl methanol 1.73
    2-phenylethanol 8.1
    styrene 0.89
    dioctyl adipate 4.62
    dimethyl sulfate 10.18
    ethyl butyrate 2.93
    methyl lactate 7.51
    butyl lactate 7.36
    diethyl carbonate 2.62
    propanediol butyl ether 9.64
    triethyl orthoformate 3.51
    p-tert-butyltoluene 1.56
    methyl 4-tert-butylbenzoate 9.31
    morpholine 7.84
    tert-butylamine 0.74
    n-dodecanol 2.0
    dimethoxymethane 12.84
    ethylene carbonate 7.32
    cyrene 15.65
    2-ethoxyethyl acetate 8.07
    2-ethylhexyl acetate 3.19
    1,2,4-trichlorobenzene 4.32
    4-methylpyridine 4.6
    dibutyl ether 1.65
    2,6-dimethyl-4-heptanol 1.73
    DEF 5.71
    dimethyl isosorbide 15.88
    tetrachloroethylene 6.64
    eugenol 11.98
    triacetin 6.84
    span 80 8.59
    1,4-butanediol 3.86
    1,1-dichloroethane 0.98
    2-methyl-1-pentanol 2.22
    methyl formate 9.95
    2-methyl-1-butanol 1.54
    n-decane 0.3
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 2.46
    1-chlorooctane 1.3
    1-chlorotetradecane 0.64
    n-nonane 0.22
    undecane 0.23
    tert-butylcyclohexane 0.11
    cyclooctane 0.09
    cyclopentanol 2.6
    tetrahydropyran 2.49
    tert-amyl methyl ether 0.59
    2,5,8-trioxanonane 17.03
    1-hexene 0.19
    2-isopropoxyethanol 5.84
    2,2,2-trifluoroethanol 7.26
    methyl butyrate 3.38

    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