6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline

  • Identifiers

    Molecular formula
    C17H24N2

    SMILES
    CC1(CC2=CN=CN=C2C3C14CCC(C4)C3(C)C)C

  • Odor profile

    Fragrance
    Woody 72.74%
    Amber 59.54%
    Musk 56.19%
    Dry 46.54%
    Animal 44.28%
    Vetiver 43.45%
    Cedar 35.24%
    Powdery 34.96%
    Earthy 33.05%
    Floral 32.85%

     

    Flavor
    Woody 51.02%
    Camphor 44.55%
    Earthy 37.43%
    Bitter 37.36%
    Earth 30.63%
    Pine 30.01%
    Medical 25.86%
    Fir needle 25.13%
    Musty 24.25%
    Patchouli 23.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    5.8 (weak acid)

    Molecular weight
    256.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 154.5 ˚C est.

  • Synonyms

    • SCHEMBL11907863
    • PREWEOGLDCKRRH-UHFFFAOYSA-N
    • 6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline
  • Applications

    6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline is commonly used as a synthetic intermediate and building block in pharmaceutical research, enabling access to quinazoline-containing heterocycles. In medicinal chemistry, it provides a rigid polycyclic scaffold for library design and structure-activity relationship (SAR) studies of related compounds. It may also be evaluated in academic and contract research settings as a starting material for the synthesis of novel heterocycles and as a reference substrate for method development in organic synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.99
    methanol 27.95
    isopropanol 39.09
    water 0.65
    ethyl acetate 106.26
    n-propanol 45.15
    acetone 140.33
    n-butanol 48.98
    acetonitrile 71.6
    DMF 231.1
    toluene 170.75
    isobutanol 48.75
    1,4-dioxane 177.33
    methyl acetate 120.64
    THF 350.06
    2-butanone 155.43
    n-pentanol 29.63
    sec-butanol 35.72
    n-hexane 3.49
    ethylene glycol 18.6
    NMP 234.71
    cyclohexane 13.03
    DMSO 104.57
    n-butyl acetate 108.52
    n-octanol 35.58
    chloroform 443.86
    n-propyl acetate 69.41
    acetic acid 41.44
    dichloromethane 322.94
    cyclohexanone 268.84
    propylene glycol 23.9
    isopropyl acetate 91.95
    DMAc 191.95
    2-ethoxyethanol 47.61
    isopentanol 51.68
    n-heptane 6.47
    ethyl formate 85.69
    1,2-dichloroethane 203.43
    n-hexanol 70.03
    2-methoxyethanol 92.86
    isobutyl acetate 74.47
    tetrachloromethane 83.07
    n-pentyl acetate 100.28
    transcutol 82.61
    n-heptanol 51.48
    ethylbenzene 65.4
    MIBK 96.14
    2-propoxyethanol 121.35
    tert-butanol 48.71
    MTBE 56.67
    2-butoxyethanol 88.68
    propionic acid 60.53
    o-xylene 104.73
    formic acid 17.23
    diethyl ether 51.84
    m-xylene 125.7
    p-xylene 109.94
    chlorobenzene 206.85
    dimethyl carbonate 95.54
    n-octane 4.53
    formamide 32.5
    cyclopentanone 396.35
    2-pentanone 118.29
    anisole 93.77
    cyclopentyl methyl ether 144.6
    gamma-butyrolactone 355.66
    1-methoxy-2-propanol 97.39
    pyridine 255.16
    3-pentanone 114.45
    furfural 305.48
    n-dodecane 4.28
    diethylene glycol 87.15
    diisopropyl ether 28.21
    tert-amyl alcohol 40.71
    acetylacetone 172.19
    n-hexadecane 5.24
    acetophenone 117.15
    methyl propionate 119.55
    isopentyl acetate 125.41
    trichloroethylene 448.73
    n-nonanol 36.53
    cyclohexanol 71.24
    benzyl alcohol 84.41
    2-ethylhexanol 55.25
    isooctanol 46.31
    dipropyl ether 42.44
    1,2-dichlorobenzene 204.4
    ethyl lactate 53.37
    propylene carbonate 208.03
    n-methylformamide 100.64
    2-pentanol 33.65
    n-pentane 5.12
    1-propoxy-2-propanol 91.31
    1-methoxy-2-propyl acetate 138.85
    2-(2-methoxypropoxy) propanol 72.16
    mesitylene 73.11
    ε-caprolactone 198.67
    p-cymene 62.64
    epichlorohydrin 338.03
    1,1,1-trichloroethane 233.96
    2-aminoethanol 30.19
    morpholine-4-carbaldehyde 234.25
    sulfolane 325.4
    2,2,4-trimethylpentane 6.0
    2-methyltetrahydrofuran 183.86
    n-hexyl acetate 103.95
    isooctane 5.72
    2-(2-butoxyethoxy)ethanol 76.37
    sec-butyl acetate 57.63
    tert-butyl acetate 95.12
    decalin 10.57
    glycerin 39.83
    diglyme 132.14
    acrylic acid 65.78
    isopropyl myristate 46.29
    n-butyric acid 84.22
    acetyl acetate 89.6
    di(2-ethylhexyl) phthalate 61.09
    ethyl propionate 70.65
    nitromethane 128.0
    1,2-diethoxyethane 53.38
    benzonitrile 172.64
    trioctyl phosphate 48.41
    1-bromopropane 91.47
    gamma-valerolactone 392.8
    n-decanol 29.03
    triethyl phosphate 52.22
    4-methyl-2-pentanol 35.6
    propionitrile 98.34
    vinylene carbonate 211.31
    1,1,2-trichlorotrifluoroethane 183.22
    DMS 128.03
    cumene 51.89
    2-octanol 35.44
    2-hexanone 74.9
    octyl acetate 58.34
    limonene 66.23
    1,2-dimethoxyethane 92.58
    ethyl orthosilicate 48.82
    tributyl phosphate 50.75
    diacetone alcohol 99.16
    N,N-dimethylaniline 69.95
    acrylonitrile 132.58
    aniline 130.14
    1,3-propanediol 46.39
    bromobenzene 242.61
    dibromomethane 191.34
    1,1,2,2-tetrachloroethane 320.54
    2-methyl-cyclohexyl acetate 89.82
    tetrabutyl urea 63.27
    diisobutyl methanol 36.77
    2-phenylethanol 130.21
    styrene 68.94
    dioctyl adipate 59.88
    dimethyl sulfate 143.49
    ethyl butyrate 71.45
    methyl lactate 76.12
    butyl lactate 82.51
    diethyl carbonate 58.1
    propanediol butyl ether 63.97
    triethyl orthoformate 60.43
    p-tert-butyltoluene 59.27
    methyl 4-tert-butylbenzoate 113.14
    morpholine 158.17
    tert-butylamine 31.13
    n-dodecanol 22.98
    dimethoxymethane 159.42
    ethylene carbonate 171.94
    cyrene 110.11
    2-ethoxyethyl acetate 118.02
    2-ethylhexyl acetate 107.85
    1,2,4-trichlorobenzene 235.75
    4-methylpyridine 245.48
    dibutyl ether 30.37
    2,6-dimethyl-4-heptanol 36.77
    DEF 107.6
    dimethyl isosorbide 163.26
    tetrachloroethylene 209.52
    eugenol 109.91
    triacetin 99.29
    span 80 69.23
    1,4-butanediol 22.67
    1,1-dichloroethane 200.52
    2-methyl-1-pentanol 34.29
    methyl formate 107.89
    2-methyl-1-butanol 45.81
    n-decane 6.9
    butyronitrile 86.04
    3,7-dimethyl-1-octanol 42.2
    1-chlorooctane 33.14
    1-chlorotetradecane 15.21
    n-nonane 5.68
    undecane 5.33
    tert-butylcyclohexane 9.43
    cyclooctane 6.83
    cyclopentanol 90.94
    tetrahydropyran 159.04
    tert-amyl methyl ether 47.6
    2,5,8-trioxanonane 95.89
    1-hexene 15.18
    2-isopropoxyethanol 45.36
    2,2,2-trifluoroethanol 43.31
    methyl butyrate 85.79

    Scent© AI

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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