7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one

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  • Identifiers

    CAS number
    5932-53-6

    Molecular formula
    C8H13NO2

    SMILES
    CN1C2CC(C1CC(=O)C2)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.49%
    Sweet 30.52%
    Nutty 29.37%
    Popcorn 24.52%
    Burnt 22.94%
    Roasted 22.09%
    Fishy 21.97%
    Caramellic 19.95%
    Savory 17.63%
    Cooling 16.86%

     

    Flavor
    Bitter 79.33%
    Odorless 23.0%
    Sweet-like 22.31%
    Cedarleaf 21.24%
    Alkaline 20.72%
    Shrimp 19.66%
    Cereal 19.3%
    Cauliflower 19.2%
    Fenugreek 19.13%
    Basil 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    8.3 (weak base)

    Molecular weight
    155.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 129.83 ˚C est.

  • Synonyms

    • 5932-53-6
    • EINECS 227-677-7
    • 7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one
    • 7-hydroxy-8-methylazabicyclo[3.2.1]octan-3-one
    • RefChem:310863
    • 227-677-7
    • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
    • 6-Hydroxytropinone
    • 110061-26-2
    • (+/-)-exo-6-Hydroxytropinone
    • CHEMBL193968
    • 8-Azabicyclo[3.2.1]octan-3-one, 6-hydroxy-8-methyl-
    • exo-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
    • NSC102773
    • Prestwick0_000967
    • Prestwick1_000967
    • Prestwick2_000967
    • SPBio_002894
    • SCHEMBL2351669
    • DTXSID50974747
    • HMS1571A15
    • (+/-)-exo-6-Hydroxy-3-tropanone
    • BDBM50475455
    • AKOS015896347
    • CCG-208475
    • NSC-102773
    • NCGC00163569-01
    • LS-13463
    • PD028686
    • CS-0440803
    • H1289
    • NS00048027
    • P10064
    • SR-05000002226
    • SR-05000002226-2
    • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one #
    • 8-Azabicyclo[3.2.1]octan-3-one, 6-hydroxy-8-methyl-, exo-
    • (+/-)-exo-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
    • 5932-53-6

  • Applications

    7-Hydroxy-8-methylazabicyclo(3.2.1)octan-3-one (CAS 5932-53-6) is primarily used as a pharmaceutical intermediate and a chiral building block for the synthesis of drugs, particularly in azabicyclic lactam-type routes. It may also serve as a chiral auxiliary or ligand in asymmetric synthesis and as a molecular scaffold in medicinal chemistry research and development of new drug candidates. Additionally, the compound may be evaluated for fragrance-related research as an odor-associated intermediate, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.85
    methanol 69.36
    isopropanol 13.19
    water 192.96
    ethyl acetate 19.6
    n-propanol 16.47
    acetone 14.58
    n-butanol 10.96
    acetonitrile 25.34
    DMF 93.73
    toluene 3.46
    isobutanol 9.66
    1,4-dioxane 42.86
    methyl acetate 18.37
    THF 23.45
    2-butanone 10.33
    n-pentanol 5.43
    sec-butanol 7.28
    n-hexane 0.08
    ethylene glycol 82.64
    NMP 55.39
    cyclohexane 0.27
    DMSO 90.34
    n-butyl acetate 9.22
    n-octanol 6.09
    chloroform 61.76
    n-propyl acetate 6.03
    acetic acid 107.28
    dichloromethane 52.86
    cyclohexanone 21.68
    propylene glycol 35.55
    isopropyl acetate 9.19
    DMAc 72.42
    2-ethoxyethanol 44.98
    isopentanol 9.08
    n-heptane 0.23
    ethyl formate 33.41
    1,2-dichloroethane 20.64
    n-hexanol 8.4
    2-methoxyethanol 120.73
    isobutyl acetate 3.78
    tetrachloromethane 9.86
    n-pentyl acetate 7.57
    transcutol 111.14
    n-heptanol 7.58
    ethylbenzene 1.69
    MIBK 5.83
    2-propoxyethanol 50.91
    tert-butanol 10.3
    MTBE 2.01
    2-butoxyethanol 32.98
    propionic acid 40.37
    o-xylene 3.76
    formic acid 375.67
    diethyl ether 3.1
    m-xylene 4.32
    p-xylene 2.81
    chlorobenzene 10.35
    dimethyl carbonate 14.54
    n-octane 0.16
    formamide 316.03
    cyclopentanone 26.9
    2-pentanone 7.91
    anisole 6.74
    cyclopentyl methyl ether 7.02
    gamma-butyrolactone 64.44
    1-methoxy-2-propanol 57.71
    pyridine 27.94
    3-pentanone 6.0
    furfural 118.4
    n-dodecane 0.22
    diethylene glycol 108.2
    diisopropyl ether 0.96
    tert-amyl alcohol 6.41
    acetylacetone 24.16
    n-hexadecane 0.24
    acetophenone 12.19
    methyl propionate 17.3
    isopentyl acetate 8.24
    trichloroethylene 57.18
    n-nonanol 5.71
    cyclohexanol 8.02
    benzyl alcohol 14.18
    2-ethylhexanol 4.53
    isooctanol 5.32
    dipropyl ether 2.72
    1,2-dichlorobenzene 13.94
    ethyl lactate 12.22
    propylene carbonate 35.29
    n-methylformamide 113.46
    2-pentanol 4.47
    n-pentane 0.13
    1-propoxy-2-propanol 24.54
    1-methoxy-2-propyl acetate 21.16
    2-(2-methoxypropoxy) propanol 29.27
    mesitylene 2.58
    ε-caprolactone 30.62
    p-cymene 3.09
    epichlorohydrin 52.89
    1,1,1-trichloroethane 16.36
    2-aminoethanol 74.59
    morpholine-4-carbaldehyde 103.8
    sulfolane 61.72
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 11.42
    n-hexyl acetate 10.21
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 41.51
    sec-butyl acetate 3.73
    tert-butyl acetate 7.42
    decalin 0.24
    glycerin 119.52
    diglyme 73.19
    acrylic acid 57.66
    isopropyl myristate 3.91
    n-butyric acid 40.58
    acetyl acetate 21.09
    di(2-ethylhexyl) phthalate 8.62
    ethyl propionate 6.8
    nitromethane 169.49
    1,2-diethoxyethane 11.18
    benzonitrile 20.44
    trioctyl phosphate 5.63
    1-bromopropane 3.81
    gamma-valerolactone 85.54
    n-decanol 4.07
    triethyl phosphate 7.39
    4-methyl-2-pentanol 3.77
    propionitrile 12.77
    vinylene carbonate 48.2
    1,1,2-trichlorotrifluoroethane 110.55
    DMS 13.77
    cumene 1.8
    2-octanol 3.74
    2-hexanone 3.76
    octyl acetate 5.97
    limonene 2.71
    1,2-dimethoxyethane 34.51
    ethyl orthosilicate 6.19
    tributyl phosphate 6.76
    diacetone alcohol 19.14
    N,N-dimethylaniline 5.5
    acrylonitrile 32.9
    aniline 13.29
    1,3-propanediol 72.29
    bromobenzene 8.39
    dibromomethane 19.18
    1,1,2,2-tetrachloroethane 39.14
    2-methyl-cyclohexyl acetate 7.21
    tetrabutyl urea 9.56
    diisobutyl methanol 3.12
    2-phenylethanol 16.53
    styrene 1.88
    dioctyl adipate 6.83
    dimethyl sulfate 34.14
    ethyl butyrate 7.39
    methyl lactate 32.1
    butyl lactate 14.21
    diethyl carbonate 7.14
    propanediol butyl ether 29.33
    triethyl orthoformate 7.11
    p-tert-butyltoluene 2.83
    methyl 4-tert-butylbenzoate 17.33
    morpholine 42.95
    tert-butylamine 3.25
    n-dodecanol 2.91
    dimethoxymethane 31.48
    ethylene carbonate 33.42
    cyrene 29.2
    2-ethoxyethyl acetate 17.93
    2-ethylhexyl acetate 6.11
    1,2,4-trichlorobenzene 17.57
    4-methylpyridine 20.72
    dibutyl ether 2.78
    2,6-dimethyl-4-heptanol 3.12
    DEF 18.61
    dimethyl isosorbide 42.32
    tetrachloroethylene 34.07
    eugenol 24.68
    triacetin 16.87
    span 80 20.91
    1,4-butanediol 23.57
    1,1-dichloroethane 14.69
    2-methyl-1-pentanol 4.62
    methyl formate 82.65
    2-methyl-1-butanol 7.25
    n-decane 0.31
    butyronitrile 10.85
    3,7-dimethyl-1-octanol 5.71
    1-chlorooctane 1.65
    1-chlorotetradecane 0.78
    n-nonane 0.24
    undecane 0.25
    tert-butylcyclohexane 0.21
    cyclooctane 0.16
    cyclopentanol 13.45
    tetrahydropyran 9.69
    tert-amyl methyl ether 2.05
    2,5,8-trioxanonane 56.56
    1-hexene 0.35
    2-isopropoxyethanol 18.3
    2,2,2-trifluoroethanol 121.7
    methyl butyrate 8.82

    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