Tropane

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  • Identifiers

    CAS number
    529-17-9

    Molecular formula
    C8H15N

    SMILES
    CN1[C@@H]2CCC[C@H]1CC2

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 59.68%
    Cheesy 42.13%
    Animal 40.38%
    Nutty 36.47%
    Roasted 33.29%
    Ripe 31.08%
    Earthy 30.53%
    Popcorn 29.82%
    Musty 28.93%
    Sweet 26.72%

     

    Flavor
    Sweet 37.58%
    Bitter 37.06%
    Animal 32.95%
    Alkaline 26.86%
    Shrimp 23.1%
    Ammoniacal 22.61%
    Cereal 21.85%
    Patchouli 21.48%
    Beet 21.34%
    Amine 21.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.28 (weak base)

    Molecular weight
    125.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    160°C

    Flash point

    • 43.65 ˚C est.

  • Synonyms

    • (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane
    • 1alphaH,5alphaH-Tropane
    • 2,3-Dihydro-8-methylnortropidine
    • UNII-62QFG0728A
    • 62QFG0728A
    • TROPANE [MI]
    • N-Methyl-8-azabicyclo[3.2.1]octane
    • 8-Azabicyclo(3.2.1)octane, 8-methyl-
    • CHEBI:35615
    • 1.ALPHA.H,5.ALPHA.H-TROPANE
    • N-METHYL-8-AZABICYCLO(3.2.1)OCTANE
    • (1R,5S)-8-methyl-8-azabicyclo(3.2.1)octane
    • DTXSID50879243
    • RefChem:192250
    • DTXCID101017257
    • 628-350-5
    • 529-17-9
    • 8-METHYL-8-AZABICYCLO(3.2.1)OCTANE
    • tropane
    • Tropane, 98%
    • SCHEMBL44881
    • SCHEMBL3242641
    • SCHEMBL14965708
    • 8-Azabicyclo[3.2.1]octane, 8-methyl-,?(1R,5S)-
    • 529-17-9

  • Applications

    Tropane (CAS 529-17-9) is used primarily as an intermediate and building block in organic synthesis to access tropane alkaloids and related derivatives for pharmaceutical development. It provides a rigid bicyclic amine scaffold for medicinal chemistry to explore structure–activity relationships and serves as a starting material in routes to tropane-based compounds. It is also employed as a reference compound and in chemical libraries for screening tropane-type motifs in research settings. In academic and industrial contexts, tropane can function as a model compound for bicyclic amine chemistry and for the development of asymmetric synthesis methods. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 538.72
    methanol 749.63
    isopropanol 309.87
    water 13.61
    ethyl acetate 760.95
    n-propanol 478.86
    acetone 492.2
    n-butanol 421.37
    acetonitrile 664.08
    DMF 417.34
    toluene 340.51
    isobutanol 281.33
    1,4-dioxane 972.67
    methyl acetate 590.67
    THF 898.7
    2-butanone 459.06
    n-pentanol 222.0
    sec-butanol 253.16
    n-hexane 47.61
    ethylene glycol 163.44
    NMP 475.84
    cyclohexane 124.98
    DMSO 404.59
    n-butyl acetate 597.82
    n-octanol 122.05
    chloroform 2802.28
    n-propyl acetate 278.73
    acetic acid 750.48
    dichloromethane 2189.46
    cyclohexanone 631.9
    propylene glycol 171.33
    isopropyl acetate 341.78
    DMAc 342.44
    2-ethoxyethanol 342.62
    isopentanol 284.19
    n-heptane 62.86
    ethyl formate 549.79
    1,2-dichloroethane 882.85
    n-hexanol 325.28
    2-methoxyethanol 610.77
    isobutyl acetate 165.19
    tetrachloromethane 637.89
    n-pentyl acetate 257.37
    transcutol 1067.73
    n-heptanol 154.13
    ethylbenzene 98.71
    MIBK 202.33
    2-propoxyethanol 582.95
    tert-butanol 232.07
    MTBE 249.33
    2-butoxyethanol 293.1
    propionic acid 557.85
    o-xylene 175.67
    formic acid 432.11
    diethyl ether 535.82
    m-xylene 186.99
    p-xylene 136.93
    chlorobenzene 563.35
    dimethyl carbonate 167.82
    n-octane 24.92
    formamide 526.78
    cyclopentanone 646.82
    2-pentanone 356.03
    anisole 214.36
    cyclopentyl methyl ether 405.49
    gamma-butyrolactone 946.83
    1-methoxy-2-propanol 366.32
    pyridine 935.8
    3-pentanone 328.1
    furfural 933.59
    n-dodecane 18.83
    diethylene glycol 417.09
    diisopropyl ether 127.41
    tert-amyl alcohol 185.74
    acetylacetone 416.19
    n-hexadecane 21.43
    acetophenone 191.7
    methyl propionate 431.7
    isopentyl acetate 368.76
    trichloroethylene 1746.75
    n-nonanol 117.55
    cyclohexanol 291.85
    benzyl alcohol 205.36
    2-ethylhexanol 191.48
    isooctanol 115.35
    dipropyl ether 301.9
    1,2-dichlorobenzene 467.71
    ethyl lactate 127.66
    propylene carbonate 537.65
    n-methylformamide 520.29
    2-pentanol 226.72
    n-pentane 80.0
    1-propoxy-2-propanol 382.28
    1-methoxy-2-propyl acetate 439.53
    2-(2-methoxypropoxy) propanol 212.24
    mesitylene 111.04
    ε-caprolactone 657.31
    p-cymene 110.88
    epichlorohydrin 960.58
    1,1,1-trichloroethane 1028.46
    2-aminoethanol 297.11
    morpholine-4-carbaldehyde 564.05
    sulfolane 568.34
    2,2,4-trimethylpentane 33.37
    2-methyltetrahydrofuran 662.33
    n-hexyl acetate 246.24
    isooctane 25.74
    2-(2-butoxyethoxy)ethanol 308.18
    sec-butyl acetate 178.03
    tert-butyl acetate 257.16
    decalin 40.49
    glycerin 242.85
    diglyme 618.18
    acrylic acid 509.57
    isopropyl myristate 105.02
    n-butyric acid 763.68
    acetyl acetate 524.33
    di(2-ethylhexyl) phthalate 103.57
    ethyl propionate 258.72
    nitromethane 1031.94
    1,2-diethoxyethane 581.57
    benzonitrile 404.95
    trioctyl phosphate 72.58
    1-bromopropane 577.44
    gamma-valerolactone 892.27
    n-decanol 87.01
    triethyl phosphate 140.81
    4-methyl-2-pentanol 128.71
    propionitrile 584.3
    vinylene carbonate 582.44
    1,1,2-trichlorotrifluoroethane 644.88
    DMS 216.37
    cumene 75.05
    2-octanol 87.68
    2-hexanone 201.58
    octyl acetate 135.0
    limonene 154.61
    1,2-dimethoxyethane 451.01
    ethyl orthosilicate 142.71
    tributyl phosphate 105.23
    diacetone alcohol 210.51
    N,N-dimethylaniline 118.11
    acrylonitrile 642.68
    aniline 485.93
    1,3-propanediol 392.54
    bromobenzene 602.25
    dibromomethane 1313.59
    1,1,2,2-tetrachloroethane 1160.02
    2-methyl-cyclohexyl acetate 180.1
    tetrabutyl urea 106.15
    diisobutyl methanol 108.72
    2-phenylethanol 252.81
    styrene 143.94
    dioctyl adipate 140.52
    dimethyl sulfate 190.25
    ethyl butyrate 382.97
    methyl lactate 175.99
    butyl lactate 175.23
    diethyl carbonate 247.12
    propanediol butyl ether 174.43
    triethyl orthoformate 259.55
    p-tert-butyltoluene 107.59
    methyl 4-tert-butylbenzoate 177.89
    morpholine 883.43
    tert-butylamine 185.88
    n-dodecanol 67.5
    dimethoxymethane 366.68
    ethylene carbonate 515.27
    cyrene 141.7
    2-ethoxyethyl acetate 376.53
    2-ethylhexyl acetate 306.72
    1,2,4-trichlorobenzene 506.36
    4-methylpyridine 629.25
    dibutyl ether 215.97
    2,6-dimethyl-4-heptanol 108.72
    DEF 389.38
    dimethyl isosorbide 351.65
    tetrachloroethylene 948.15
    eugenol 174.71
    triacetin 246.01
    span 80 188.28
    1,4-butanediol 134.5
    1,1-dichloroethane 1015.26
    2-methyl-1-pentanol 169.51
    methyl formate 378.78
    2-methyl-1-butanol 262.35
    n-decane 32.82
    butyronitrile 542.29
    3,7-dimethyl-1-octanol 130.05
    1-chlorooctane 110.97
    1-chlorotetradecane 45.43
    n-nonane 32.01
    undecane 24.03
    tert-butylcyclohexane 33.12
    cyclooctane 46.97
    cyclopentanol 325.81
    tetrahydropyran 756.75
    tert-amyl methyl ether 169.43
    2,5,8-trioxanonane 393.95
    1-hexene 131.99
    2-isopropoxyethanol 204.08
    2,2,2-trifluoroethanol 362.69
    methyl butyrate 300.73

    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