Pseudopelletierine hydrochloride

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  • Identifiers

    CAS number
    6164-62-1

    Molecular formula
    C9H16ClNO

    SMILES
    CN1[C@@H]2CCC[C@H]1CC(=O)C2.Cl

    Safety labels

  • Odor profile

    Fragrance
    Nutty 43.63%
    Roasted 38.32%
    Popcorn 36.14%
    Fishy 33.95%
    Odorless 28.2%
    Burnt 26.89%
    Animal 25.93%
    Sweet 24.62%
    Woody 23.63%
    Earthy 23.02%

     

    Flavor
    Bitter 68.46%
    Alkaline 23.05%
    Shrimp 21.81%
    Cedarleaf 21.7%
    Animal 20.93%
    Cereal 20.74%
    Spicy 20.54%
    Sweet-like 20.28%
    Cauliflower 20.23%
    Naphthalic 20.17%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.29 (weak base)

    Molecular weight
    189.68 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point

    • 105.83 ˚C est.

  • Synonyms

    • Pseudopelletierine hydrochloride
    • UNII-6RL4P3P2Z4
    • NSC-62515
    • Pseudopelletierine hydrochloride [MI]
    • 6RL4P3P2Z4
    • 6164-62-1
    • 9-Methyl-9-azabicyclo(3.3.1)nonan-3-one hydrochloride
    • DTXSID90423562
    • 123793-33-9
    • RefChem:176975
    • DTXCID50374400
    • 9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl-, hydrochloride (1:1)
    • Prestwick_421
    • Q27265383
    • (1R,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-one--hydrogen chloride (1/1)
    • 6164-62-1

  • Applications

    Pseudopelletierine hydrochloride (CAS 6164-62-1) is an alkaloid salt primarily used as a synthetic intermediate and building block in pharmaceutical chemistry; in industrial and laboratory settings it is commonly employed as an intermediate for preparing alkaloid derivatives and related chiral compounds. It is also evaluated as a reagent or reference standard in analytical chemistry and as a potential starting material for the development of other chemical entities; its role as a chiral building block and intermediate is often explored in medicinal chemistry research. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.76
    methanol 81.57
    isopropanol 29.17
    water 13.39
    ethyl acetate 74.19
    n-propanol 43.3
    acetone 46.2
    n-butanol 23.79
    acetonitrile 97.41
    DMF 91.88
    toluene 33.83
    isobutanol 25.84
    1,4-dioxane 142.51
    methyl acetate 85.2
    THF 57.85
    2-butanone 49.13
    n-pentanol 13.12
    sec-butanol 22.8
    n-hexane 0.79
    ethylene glycol 66.19
    NMP 105.02
    cyclohexane 4.07
    DMSO 98.32
    n-butyl acetate 42.49
    n-octanol 14.57
    chloroform 398.99
    n-propyl acetate 21.62
    acetic acid 147.79
    dichloromethane 270.8
    cyclohexanone 77.21
    propylene glycol 44.23
    isopropyl acetate 28.04
    DMAc 90.09
    2-ethoxyethanol 39.13
    isopentanol 18.14
    n-heptane 1.6
    ethyl formate 62.35
    1,2-dichloroethane 108.41
    n-hexanol 28.39
    2-methoxyethanol 104.96
    isobutyl acetate 12.76
    tetrachloromethane 49.59
    n-pentyl acetate 26.04
    transcutol 283.73
    n-heptanol 16.66
    ethylbenzene 10.86
    MIBK 13.27
    2-propoxyethanol 80.47
    tert-butanol 23.5
    MTBE 10.29
    2-butoxyethanol 46.57
    propionic acid 111.28
    o-xylene 26.24
    formic acid 145.26
    diethyl ether 18.56
    m-xylene 23.54
    p-xylene 17.16
    chlorobenzene 75.23
    dimethyl carbonate 26.92
    n-octane 0.92
    formamide 149.94
    cyclopentanone 73.87
    2-pentanone 23.9
    anisole 25.35
    cyclopentyl methyl ether 25.37
    gamma-butyrolactone 142.45
    1-methoxy-2-propanol 58.72
    pyridine 143.25
    3-pentanone 28.36
    furfural 201.22
    n-dodecane 1.12
    diethylene glycol 115.4
    diisopropyl ether 4.86
    tert-amyl alcohol 16.62
    acetylacetone 51.17
    n-hexadecane 1.31
    acetophenone 34.88
    methyl propionate 57.05
    isopentyl acetate 33.24
    trichloroethylene 295.06
    n-nonanol 13.55
    cyclohexanol 30.14
    benzyl alcohol 36.28
    2-ethylhexanol 16.32
    isooctanol 12.51
    dipropyl ether 12.29
    1,2-dichlorobenzene 77.31
    ethyl lactate 22.06
    propylene carbonate 81.33
    n-methylformamide 117.27
    2-pentanol 12.74
    n-pentane 1.2
    1-propoxy-2-propanol 50.0
    1-methoxy-2-propyl acetate 59.83
    2-(2-methoxypropoxy) propanol 59.38
    mesitylene 13.56
    ε-caprolactone 89.82
    p-cymene 14.88
    epichlorohydrin 127.49
    1,1,1-trichloroethane 109.84
    2-aminoethanol 75.35
    morpholine-4-carbaldehyde 146.15
    sulfolane 108.28
    2,2,4-trimethylpentane 0.98
    2-methyltetrahydrofuran 45.63
    n-hexyl acetate 34.74
    isooctane 0.76
    2-(2-butoxyethoxy)ethanol 78.66
    sec-butyl acetate 13.77
    tert-butyl acetate 19.74
    decalin 1.88
    glycerin 86.2
    diglyme 126.6
    acrylic acid 133.33
    isopropyl myristate 13.2
    n-butyric acid 80.3
    acetyl acetate 68.71
    di(2-ethylhexyl) phthalate 24.15
    ethyl propionate 20.85
    nitromethane 228.93
    1,2-diethoxyethane 49.03
    benzonitrile 71.27
    trioctyl phosphate 14.05
    1-bromopropane 34.36
    gamma-valerolactone 164.2
    n-decanol 10.36
    triethyl phosphate 20.61
    4-methyl-2-pentanol 8.74
    propionitrile 54.82
    vinylene carbonate 111.1
    1,1,2-trichlorotrifluoroethane 153.56
    DMS 53.65
    cumene 9.1
    2-octanol 9.56
    2-hexanone 13.27
    octyl acetate 18.52
    limonene 15.09
    1,2-dimethoxyethane 42.09
    ethyl orthosilicate 17.98
    tributyl phosphate 20.02
    diacetone alcohol 28.56
    N,N-dimethylaniline 17.24
    acrylonitrile 104.15
    aniline 67.3
    1,3-propanediol 67.14
    bromobenzene 71.45
    dibromomethane 138.51
    1,1,2,2-tetrachloroethane 197.41
    2-methyl-cyclohexyl acetate 24.24
    tetrabutyl urea 23.33
    diisobutyl methanol 10.16
    2-phenylethanol 44.09
    styrene 13.22
    dioctyl adipate 24.34
    dimethyl sulfate 44.83
    ethyl butyrate 26.12
    methyl lactate 46.25
    butyl lactate 31.63
    diethyl carbonate 25.16
    propanediol butyl ether 44.43
    triethyl orthoformate 23.25
    p-tert-butyltoluene 12.46
    methyl 4-tert-butylbenzoate 37.5
    morpholine 116.02
    tert-butylamine 12.61
    n-dodecanol 8.2
    dimethoxymethane 41.98
    ethylene carbonate 79.31
    cyrene 42.62
    2-ethoxyethyl acetate 59.56
    2-ethylhexyl acetate 28.45
    1,2,4-trichlorobenzene 99.02
    4-methylpyridine 91.39
    dibutyl ether 12.95
    2,6-dimethyl-4-heptanol 10.16
    DEF 38.53
    dimethyl isosorbide 81.76
    tetrachloroethylene 155.82
    eugenol 44.45
    triacetin 52.17
    span 80 43.1
    1,4-butanediol 22.53
    1,1-dichloroethane 99.75
    2-methyl-1-pentanol 11.5
    methyl formate 80.59
    2-methyl-1-butanol 18.44
    n-decane 1.64
    butyronitrile 34.6
    3,7-dimethyl-1-octanol 16.35
    1-chlorooctane 8.59
    1-chlorotetradecane 3.91
    n-nonane 1.38
    undecane 1.32
    tert-butylcyclohexane 1.5
    cyclooctane 1.51
    cyclopentanol 37.61
    tetrahydropyran 54.78
    tert-amyl methyl ether 8.88
    2,5,8-trioxanonane 103.4
    1-hexene 3.2
    2-isopropoxyethanol 22.61
    2,2,2-trifluoroethanol 112.66
    methyl butyrate 22.63

    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