Convolamine hydrochloride

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  • Identifiers

    CAS number
    5896-59-3

    Molecular formula
    C17H24ClNO4

    SMILES
    CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=C(C=C3)OC)OC.Cl

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.61%
    Sweet 37.67%
    Vanilla 35.87%
    Floral 22.02%
    Creamy 21.78%
    Mint 21.68%
    Cooling 20.99%
    Milky 20.27%
    Powdery 19.39%
    Nutty 19.23%

     

    Flavor
    Bitter 85.19%
    Bland 27.88%
    Odorless 22.33%
    Sweet-like 22.14%
    Cedarleaf 21.31%
    Parsley 20.56%
    Lovage 19.78%
    Ripe apricot 19.24%
    Heather 19.19%
    Broom 18.96%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.39 (weak base)

    Molecular weight
    341.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    435°C

    Flash point

    • 183.46 ˚C est.

  • Synonyms

    • Convolamine hydrochloride
    • 5896-59-3
    • [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate;hydrochloride
    • Veratroyltropine hydrochloride
    • Prestwick_127
    • DTXSID60423559
    • HMS1569H14
    • (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate--hydrogen chloride (1/1)
    • 5896-59-3

  • Applications

    Convolamine hydrochloride is an organic amine hydrochloride salt typically used as a synthetic intermediate in chemical and pharmaceutical manufacturing. It serves as a building block for amine and amide derivatives and can be a precursor for specialty chemicals and agrochemicals in pharmaceutical and agricultural sectors. The salt form improves handling, solubility, and crystallization during process development. It can be used as a starting material to access functionally substituted amines or other derivatives, and can act as a reactive amine component in polymer or coating formulations when deprotonated to participate in curing or crosslinking. Applications are primarily in industrial production, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.8
    methanol 40.56
    isopropanol 18.57
    water 1.69
    ethyl acetate 129.51
    n-propanol 25.24
    acetone 82.44
    n-butanol 25.7
    acetonitrile 80.21
    DMF 178.1
    toluene 28.27
    isobutanol 20.63
    1,4-dioxane 103.33
    methyl acetate 90.49
    THF 127.93
    2-butanone 78.66
    n-pentanol 17.28
    sec-butanol 20.48
    n-hexane 0.77
    ethylene glycol 25.59
    NMP 156.32
    cyclohexane 2.91
    DMSO 242.47
    n-butyl acetate 49.58
    n-octanol 7.11
    chloroform 1016.26
    n-propyl acetate 50.06
    acetic acid 282.82
    dichloromethane 970.13
    cyclohexanone 128.44
    propylene glycol 16.95
    isopropyl acetate 64.75
    DMAc 246.93
    2-ethoxyethanol 85.46
    isopentanol 27.84
    n-heptane 0.81
    ethyl formate 79.24
    1,2-dichloroethane 396.71
    n-hexanol 14.94
    2-methoxyethanol 139.87
    isobutyl acetate 28.61
    tetrachloromethane 67.64
    n-pentyl acetate 29.2
    transcutol 334.78
    n-heptanol 10.31
    ethylbenzene 14.19
    MIBK 41.46
    2-propoxyethanol 72.43
    tert-butanol 24.15
    MTBE 21.39
    2-butoxyethanol 47.82
    propionic acid 86.6
    o-xylene 25.08
    formic acid 193.65
    diethyl ether 32.17
    m-xylene 24.75
    p-xylene 20.34
    chlorobenzene 94.63
    dimethyl carbonate 84.1
    n-octane 0.46
    formamide 337.65
    cyclopentanone 143.32
    2-pentanone 65.07
    anisole 43.39
    cyclopentyl methyl ether 53.95
    gamma-butyrolactone 235.43
    1-methoxy-2-propanol 83.95
    pyridine 120.57
    3-pentanone 64.8
    furfural 272.96
    n-dodecane 0.5
    diethylene glycol 94.53
    diisopropyl ether 10.14
    tert-amyl alcohol 24.91
    acetylacetone 140.94
    n-hexadecane 0.6
    acetophenone 69.37
    methyl propionate 97.67
    isopentyl acetate 44.48
    trichloroethylene 1028.01
    n-nonanol 8.59
    cyclohexanol 35.0
    benzyl alcohol 51.93
    2-ethylhexanol 11.78
    isooctanol 10.19
    dipropyl ether 12.58
    1,2-dichlorobenzene 119.64
    ethyl lactate 44.32
    propylene carbonate 145.27
    n-methylformamide 131.64
    2-pentanol 16.82
    n-pentane 1.09
    1-propoxy-2-propanol 46.71
    1-methoxy-2-propyl acetate 84.51
    2-(2-methoxypropoxy) propanol 72.2
    mesitylene 14.55
    ε-caprolactone 138.61
    p-cymene 11.95
    epichlorohydrin 354.32
    1,1,1-trichloroethane 248.07
    2-aminoethanol 34.44
    morpholine-4-carbaldehyde 203.65
    sulfolane 254.06
    2,2,4-trimethylpentane 1.26
    2-methyltetrahydrofuran 70.32
    n-hexyl acetate 32.47
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 81.47
    sec-butyl acetate 35.49
    tert-butyl acetate 55.36
    decalin 1.91
    glycerin 63.21
    diglyme 193.56
    acrylic acid 123.49
    isopropyl myristate 13.8
    n-butyric acid 115.74
    acetyl acetate 152.99
    di(2-ethylhexyl) phthalate 23.95
    ethyl propionate 50.74
    nitromethane 521.25
    1,2-diethoxyethane 56.58
    benzonitrile 64.57
    trioctyl phosphate 13.94
    1-bromopropane 76.89
    gamma-valerolactone 236.58
    n-decanol 6.38
    triethyl phosphate 35.83
    4-methyl-2-pentanol 13.82
    propionitrile 52.23
    vinylene carbonate 169.03
    1,1,2-trichlorotrifluoroethane 412.88
    DMS 77.6
    cumene 10.97
    2-octanol 5.92
    2-hexanone 35.73
    octyl acetate 18.05
    limonene 13.04
    1,2-dimethoxyethane 108.24
    ethyl orthosilicate 30.74
    tributyl phosphate 22.77
    diacetone alcohol 65.2
    N,N-dimethylaniline 28.7
    acrylonitrile 97.62
    aniline 63.99
    1,3-propanediol 56.03
    bromobenzene 98.24
    dibromomethane 397.22
    1,1,2,2-tetrachloroethane 658.03
    2-methyl-cyclohexyl acetate 37.93
    tetrabutyl urea 26.14
    diisobutyl methanol 8.93
    2-phenylethanol 45.24
    styrene 18.94
    dioctyl adipate 30.25
    dimethyl sulfate 168.97
    ethyl butyrate 41.2
    methyl lactate 73.25
    butyl lactate 35.95
    diethyl carbonate 42.37
    propanediol butyl ether 36.95
    triethyl orthoformate 34.91
    p-tert-butyltoluene 10.18
    methyl 4-tert-butylbenzoate 57.79
    morpholine 116.78
    tert-butylamine 10.57
    n-dodecanol 4.87
    dimethoxymethane 114.05
    ethylene carbonate 132.4
    cyrene 75.95
    2-ethoxyethyl acetate 72.91
    2-ethylhexyl acetate 35.84
    1,2,4-trichlorobenzene 153.22
    4-methylpyridine 89.76
    dibutyl ether 10.95
    2,6-dimethyl-4-heptanol 8.93
    DEF 103.83
    dimethyl isosorbide 120.61
    tetrachloroethylene 386.71
    eugenol 58.0
    triacetin 80.03
    span 80 41.59
    1,4-butanediol 22.14
    1,1-dichloroethane 254.17
    2-methyl-1-pentanol 20.42
    methyl formate 113.33
    2-methyl-1-butanol 24.52
    n-decane 0.78
    butyronitrile 41.16
    3,7-dimethyl-1-octanol 11.24
    1-chlorooctane 5.34
    1-chlorotetradecane 2.5
    n-nonane 0.59
    undecane 0.61
    tert-butylcyclohexane 1.27
    cyclooctane 1.18
    cyclopentanol 36.01
    tetrahydropyran 56.44
    tert-amyl methyl ether 21.91
    2,5,8-trioxanonane 125.73
    1-hexene 4.15
    2-isopropoxyethanol 51.61
    2,2,2-trifluoroethanol 233.48
    methyl butyrate 61.54

    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