5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-

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  • Identifiers

    CAS number
    1392325-86-8

    Molecular formula
    C16H24N2

    SMILES
    CC1C(C2CCC3=CN=CN=C3C2C1(C)C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 66.14%
    Amber 52.59%
    Musk 50.21%
    Dry 42.13%
    Animal 41.72%
    Vetiver 39.84%
    Earthy 35.77%
    Powdery 35.25%
    Floral 34.81%
    Leathery 32.82%

     

    Flavor
    Woody 60.8%
    Camphor 50.01%
    Earthy 36.88%
    Herbal 35.29%
    Pine 34.95%
    Bitter 32.6%
    Earth 31.81%
    Balsam 26.84%
    Musty 26.55%
    Wood 26.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.23 (neutral)

    Molecular weight
    244.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point

    • 165.99 ˚C est.

  • Synonyms

    • 1392325-86-8
    • DTXSID50889165
    • EC 801-694-5
    • 5H-Cyclopenta(h)quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-
    • 5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-
    • 7,7,8,9,9-Pentamethyl-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta(H)quinazoline
    • 7,7,8,9,9-pentamethyl-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[h]quinazoline
    • RefChem:538257
    • DTXCID801028433
    • 801-694-5
    • SCHEMBL11907933
    • SCHEMBL29644930
    • QKABJOXIAJBLQX-UHFFFAOYSA-N
    • NS00005095
    • Ambertonic

  • Applications

    5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl- is primarily regarded as a polycyclic heterocyclic scaffold and an intermediate for the synthesis of quinazoline derivatives in pharmaceutical research. In practice, it is used as a synthetic intermediate and structural core for potential pharmaceutical compounds, supporting drug discovery and the optimization of structure-activity relationships (SAR). It also serves as a building block for the synthesis of more complex heterocycles and as a research reagent in laboratory studies to evaluate chemical properties and to develop compound libraries. Additionally, given its scaffold-like character, it may be used as a platform to generate functionally diverse derivatives for research and development applications. CAS 1392325-86-8.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 125.13
    methanol 126.91
    isopropanol 108.7
    water 1.83
    ethyl acetate 344.46
    n-propanol 162.03
    acetone 369.58
    n-butanol 144.82
    acetonitrile 285.2
    DMF 470.14
    toluene 554.72
    isobutanol 139.71
    1,4-dioxane 557.75
    methyl acetate 318.74
    THF 910.42
    2-butanone 361.22
    n-pentanol 72.15
    sec-butanol 98.01
    n-hexane 16.45
    ethylene glycol 39.15
    NMP 567.81
    cyclohexane 72.69
    DMSO 270.87
    n-butyl acetate 329.77
    n-octanol 64.81
    chloroform 1354.83
    n-propyl acetate 172.04
    acetic acid 153.4
    dichloromethane 1193.57
    cyclohexanone 640.62
    propylene glycol 50.19
    isopropyl acetate 246.04
    DMAc 364.02
    2-ethoxyethanol 112.74
    isopentanol 138.26
    n-heptane 21.96
    ethyl formate 260.64
    1,2-dichloroethane 721.75
    n-hexanol 183.72
    2-methoxyethanol 244.5
    isobutyl acetate 158.96
    tetrachloromethane 315.63
    n-pentyl acetate 224.9
    transcutol 379.84
    n-heptanol 100.89
    ethylbenzene 184.6
    MIBK 211.58
    2-propoxyethanol 306.56
    tert-butanol 112.34
    MTBE 164.0
    2-butoxyethanol 184.44
    propionic acid 181.79
    o-xylene 307.31
    formic acid 71.79
    diethyl ether 201.66
    m-xylene 370.83
    p-xylene 263.65
    chlorobenzene 669.86
    dimethyl carbonate 212.91
    n-octane 9.56
    formamide 125.35
    cyclopentanone 844.63
    2-pentanone 301.69
    anisole 245.02
    cyclopentyl methyl ether 418.79
    gamma-butyrolactone 895.58
    1-methoxy-2-propanol 193.04
    pyridine 753.46
    3-pentanone 282.67
    furfural 696.62
    n-dodecane 6.42
    diethylene glycol 183.92
    diisopropyl ether 88.86
    tert-amyl alcohol 94.8
    acetylacetone 370.82
    n-hexadecane 8.06
    acetophenone 258.77
    methyl propionate 319.2
    isopentyl acetate 331.24
    trichloroethylene 1340.56
    n-nonanol 63.21
    cyclohexanol 204.9
    benzyl alcohol 195.8
    2-ethylhexanol 123.98
    isooctanol 86.71
    dipropyl ether 138.83
    1,2-dichlorobenzene 562.06
    ethyl lactate 97.93
    propylene carbonate 479.61
    n-methylformamide 304.72
    2-pentanol 90.03
    n-pentane 23.92
    1-propoxy-2-propanol 216.26
    1-methoxy-2-propyl acetate 359.55
    2-(2-methoxypropoxy) propanol 145.41
    mesitylene 210.42
    ε-caprolactone 531.33
    p-cymene 153.01
    epichlorohydrin 910.07
    1,1,1-trichloroethane 752.56
    2-aminoethanol 80.68
    morpholine-4-carbaldehyde 514.93
    sulfolane 710.77
    2,2,4-trimethylpentane 18.65
    2-methyltetrahydrofuran 585.18
    n-hexyl acetate 224.46
    isooctane 15.57
    2-(2-butoxyethoxy)ethanol 176.16
    sec-butyl acetate 143.32
    tert-butyl acetate 240.02
    decalin 36.85
    glycerin 73.81
    diglyme 329.72
    acrylic acid 183.79
    isopropyl myristate 82.15
    n-butyric acid 260.12
    acetyl acetate 248.62
    di(2-ethylhexyl) phthalate 108.77
    ethyl propionate 171.95
    nitromethane 388.48
    1,2-diethoxyethane 178.49
    benzonitrile 420.53
    trioctyl phosphate 80.97
    1-bromopropane 355.16
    gamma-valerolactone 894.58
    n-decanol 47.29
    triethyl phosphate 110.67
    4-methyl-2-pentanol 76.69
    propionitrile 299.34
    vinylene carbonate 507.57
    1,1,2-trichlorotrifluoroethane 430.23
    DMS 265.15
    cumene 127.28
    2-octanol 60.54
    2-hexanone 160.95
    octyl acetate 108.48
    limonene 167.73
    1,2-dimethoxyethane 227.58
    ethyl orthosilicate 108.42
    tributyl phosphate 93.52
    diacetone alcohol 195.68
    N,N-dimethylaniline 166.5
    acrylonitrile 373.24
    aniline 417.75
    1,3-propanediol 124.97
    bromobenzene 779.09
    dibromomethane 763.15
    1,1,2,2-tetrachloroethane 898.73
    2-methyl-cyclohexyl acetate 197.43
    tetrabutyl urea 106.34
    diisobutyl methanol 80.03
    2-phenylethanol 300.77
    styrene 210.82
    dioctyl adipate 115.17
    dimethyl sulfate 286.72
    ethyl butyrate 193.68
    methyl lactate 140.54
    butyl lactate 167.88
    diethyl carbonate 142.28
    propanediol butyl ether 128.49
    triethyl orthoformate 152.65
    p-tert-butyltoluene 143.56
    methyl 4-tert-butylbenzoate 215.81
    morpholine 534.21
    tert-butylamine 87.52
    n-dodecanol 35.41
    dimethoxymethane 363.48
    ethylene carbonate 435.46
    cyrene 185.68
    2-ethoxyethyl acetate 298.4
    2-ethylhexyl acetate 284.29
    1,2,4-trichlorobenzene 627.46
    4-methylpyridine 730.84
    dibutyl ether 75.3
    2,6-dimethyl-4-heptanol 80.03
    DEF 269.73
    dimethyl isosorbide 334.64
    tetrachloroethylene 648.36
    eugenol 210.08
    triacetin 199.79
    span 80 134.77
    1,4-butanediol 46.06
    1,1-dichloroethane 666.15
    2-methyl-1-pentanol 80.21
    methyl formate 302.92
    2-methyl-1-butanol 128.25
    n-decane 12.06
    butyronitrile 265.92
    3,7-dimethyl-1-octanol 78.55
    1-chlorooctane 67.63
    1-chlorotetradecane 24.67
    n-nonane 10.78
    undecane 8.43
    tert-butylcyclohexane 29.05
    cyclooctane 29.25
    cyclopentanol 237.09
    tetrahydropyran 560.97
    tert-amyl methyl ether 128.21
    2,5,8-trioxanonane 211.15
    1-hexene 59.79
    2-isopropoxyethanol 95.71
    2,2,2-trifluoroethanol 123.76
    methyl butyrate 203.67

    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