5H-Cyclopenta[H]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-

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  • Identifiers

    CAS number
    1315251-11-6

    Molecular formula
    C16H22N2

    SMILES
    CC1C(C2=C(C1(C)C)C3=NC=NC=C3CC2)(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 69.44%
    Floral 61.47%
    Amber 55.59%
    Woody 54.07%
    Powdery 50.82%
    Dry 39.13%
    Animal 38.21%
    Vetiver 31.78%
    Sweet 30.37%
    Orris 28.81%

     

    Flavor
    Woody 46.38%
    Bitter 45.08%
    Camphor 42.38%
    Earth 25.71%
    Earthy 25.7%
    Musty 23.07%
    Pine 22.58%
    Fir needle 21.9%
    Ripe apricot 21.13%
    Patchouli 21.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.73 (neutral)

    Molecular weight
    242.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point

    • 172.48 ˚C est.

  • Synonyms

    • 5H-CYCLOPENTA[H]QUINAZOLINE, 6,7,8,9-TETRAHYDRO-7,7,8,9,9-PENTAMETHYL-
    • 1315251-11-6
    • 7,7,8,9,9-Pentamethyl-6,7,8,9-tetrahydro-5H-cyclopenta[H]quinazoline
    • SCHEMBL11908497
    • DTXSID70889288
    • NS00002922
    • 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-5H-cyclopenta[H]quinazoline
    • 1,1,2,3,3-pentamethyl-2,3,4,5-tetrahydro-1H-7,9-diaza-cyclopenta[a]naphthalene
    • 1315251-11-6

  • Applications

    5H-Cyclopenta[H]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl- (CAS 1315251-11-6) is typically encountered as a synthetic intermediate and heterocyclic building block in pharmaceutical and medicinal-chemistry programs, where its fused quinazoline core provides a versatile scaffold for diversification in lead discovery and structure-activity studies; in organic synthesis it serves as a precursor for further functionalization to access substituted quinazoline derivatives; it is also used in research settings as a chemical probe to explore reactions of polycyclic nitrogen heterocycles; and there is potential for exploratory work in materials science, such as organic electronics or optoelectronic applications, where such rigid, methylated heterocycles may be evaluated under appropriate formulation and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.72
    methanol 49.84
    isopropanol 37.25
    water 0.46
    ethyl acetate 178.16
    n-propanol 64.15
    acetone 173.58
    n-butanol 56.19
    acetonitrile 139.95
    DMF 313.57
    toluene 369.63
    isobutanol 53.98
    1,4-dioxane 302.16
    methyl acetate 180.87
    THF 516.15
    2-butanone 195.56
    n-pentanol 35.56
    sec-butanol 40.16
    n-hexane 8.46
    ethylene glycol 14.82
    NMP 437.56
    cyclohexane 32.08
    DMSO 136.08
    n-butyl acetate 180.05
    n-octanol 33.5
    chloroform 748.98
    n-propyl acetate 109.9
    acetic acid 75.41
    dichloromethane 720.88
    cyclohexanone 399.99
    propylene glycol 17.63
    isopropyl acetate 129.67
    DMAc 251.16
    2-ethoxyethanol 57.99
    isopentanol 56.45
    n-heptane 10.38
    ethyl formate 125.43
    1,2-dichloroethane 423.4
    n-hexanol 84.06
    2-methoxyethanol 112.14
    isobutyl acetate 99.15
    tetrachloromethane 160.44
    n-pentyl acetate 143.55
    transcutol 182.55
    n-heptanol 53.31
    ethylbenzene 124.7
    MIBK 114.35
    2-propoxyethanol 155.93
    tert-butanol 43.45
    MTBE 71.11
    2-butoxyethanol 107.94
    propionic acid 88.74
    o-xylene 197.09
    formic acid 31.1
    diethyl ether 95.83
    m-xylene 223.22
    p-xylene 181.15
    chlorobenzene 426.26
    dimethyl carbonate 139.28
    n-octane 4.83
    formamide 61.55
    cyclopentanone 534.97
    2-pentanone 156.95
    anisole 173.94
    cyclopentyl methyl ether 238.46
    gamma-butyrolactone 562.52
    1-methoxy-2-propanol 91.12
    pyridine 508.57
    3-pentanone 165.45
    furfural 461.02
    n-dodecane 3.46
    diethylene glycol 90.62
    diisopropyl ether 41.27
    tert-amyl alcohol 42.41
    acetylacetone 211.76
    n-hexadecane 4.42
    acetophenone 193.57
    methyl propionate 184.3
    isopentyl acetate 187.77
    trichloroethylene 878.1
    n-nonanol 33.97
    cyclohexanol 95.73
    benzyl alcohol 127.72
    2-ethylhexanol 63.68
    isooctanol 47.57
    dipropyl ether 72.42
    1,2-dichlorobenzene 383.96
    ethyl lactate 57.17
    propylene carbonate 300.88
    n-methylformamide 156.23
    2-pentanol 35.24
    n-pentane 10.07
    1-propoxy-2-propanol 106.91
    1-methoxy-2-propyl acetate 208.57
    2-(2-methoxypropoxy) propanol 85.81
    mesitylene 121.13
    ε-caprolactone 331.35
    p-cymene 95.54
    epichlorohydrin 558.57
    1,1,1-trichloroethane 425.25
    2-aminoethanol 32.11
    morpholine-4-carbaldehyde 371.23
    sulfolane 471.31
    2,2,4-trimethylpentane 9.06
    2-methyltetrahydrofuran 310.76
    n-hexyl acetate 138.63
    isooctane 6.94
    2-(2-butoxyethoxy)ethanol 101.31
    sec-butyl acetate 90.47
    tert-butyl acetate 129.39
    decalin 20.15
    glycerin 29.04
    diglyme 210.18
    acrylic acid 97.99
    isopropyl myristate 53.95
    n-butyric acid 120.2
    acetyl acetate 145.05
    di(2-ethylhexyl) phthalate 75.79
    ethyl propionate 110.81
    nitromethane 198.46
    1,2-diethoxyethane 97.48
    benzonitrile 279.4
    trioctyl phosphate 50.76
    1-bromopropane 179.38
    gamma-valerolactone 570.86
    n-decanol 24.21
    triethyl phosphate 78.28
    4-methyl-2-pentanol 33.36
    propionitrile 153.22
    vinylene carbonate 332.61
    1,1,2-trichlorotrifluoroethane 262.16
    DMS 193.62
    cumene 82.39
    2-octanol 33.59
    2-hexanone 103.28
    octyl acetate 68.5
    limonene 97.75
    1,2-dimethoxyethane 131.07
    ethyl orthosilicate 73.36
    tributyl phosphate 59.5
    diacetone alcohol 106.8
    N,N-dimethylaniline 124.62
    acrylonitrile 220.71
    aniline 238.76
    1,3-propanediol 50.1
    bromobenzene 512.14
    dibromomethane 423.16
    1,1,2,2-tetrachloroethane 541.32
    2-methyl-cyclohexyl acetate 133.62
    tetrabutyl urea 71.47
    diisobutyl methanol 40.39
    2-phenylethanol 187.01
    styrene 145.3
    dioctyl adipate 76.85
    dimethyl sulfate 193.83
    ethyl butyrate 121.11
    methyl lactate 75.61
    butyl lactate 96.17
    diethyl carbonate 94.48
    propanediol butyl ether 66.71
    triethyl orthoformate 94.7
    p-tert-butyltoluene 87.87
    methyl 4-tert-butylbenzoate 151.26
    morpholine 278.46
    tert-butylamine 34.17
    n-dodecanol 17.84
    dimethoxymethane 214.34
    ethylene carbonate 259.46
    cyrene 135.6
    2-ethoxyethyl acetate 189.7
    2-ethylhexyl acetate 171.1
    1,2,4-trichlorobenzene 429.41
    4-methylpyridine 470.1
    dibutyl ether 42.68
    2,6-dimethyl-4-heptanol 40.39
    DEF 170.9
    dimethyl isosorbide 226.9
    tetrachloroethylene 413.05
    eugenol 145.16
    triacetin 133.26
    span 80 79.26
    1,4-butanediol 21.56
    1,1-dichloroethane 336.76
    2-methyl-1-pentanol 41.64
    methyl formate 161.4
    2-methyl-1-butanol 54.9
    n-decane 6.48
    butyronitrile 125.4
    3,7-dimethyl-1-octanol 38.81
    1-chlorooctane 38.39
    1-chlorotetradecane 14.58
    n-nonane 5.55
    undecane 4.53
    tert-butylcyclohexane 16.11
    cyclooctane 13.92
    cyclopentanol 108.41
    tetrahydropyran 274.34
    tert-amyl methyl ether 66.15
    2,5,8-trioxanonane 130.58
    1-hexene 32.37
    2-isopropoxyethanol 52.82
    2,2,2-trifluoroethanol 62.69
    methyl butyrate 133.47

    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