Carpaine

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  • Identifiers

    CAS number
    3463-92-1

    Molecular formula
    C28H50N2O4

    SMILES
    C[C@H]1[C@@H]2CC[C@H](N1)CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O2)N[C@H]3C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 43.24%
    Animal 36.09%
    Coconut 33.09%
    Popcorn 31.11%
    Coumarinic 30.74%
    Roasted 30.31%
    Woody 30.17%
    Sweet 28.97%
    Lactonic 28.5%
    Herbal 28.19%

     

    Flavor
    Bitter 46.33%
    Animal 34.7%
    Sweet 28.71%
    Minty 27.19%
    Alkaline 25.18%
    Spicy 24.0%
    Amine 23.83%
    Fruity 23.48%
    Shrimp 23.09%
    Cauliflower 22.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    25.12 (strong base)

    Molecular weight
    478.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    350°C

    Flash point

    • 279.21 ˚C est.

  • Synonyms

    • Carpaine
    • 3463-92-1
    • (+)-Carpaine
    • VLR223H4QP
    • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
    • CHEBI:3433
    • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.211,14)triacontane-3,16-dione
    • RefChem:31561
    • 222-414-2
    • 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione
    • UNII-VLR223H4QP
    • EINECS 222-414-2
    • C10135
    • CARPAINE [MI]
    • CARPAINE, (+)-
    • orb1710151
    • SCHEMBL1443089
    • AMSCMASJCYVAIF-QCVMBYIASA-N
    • DTXSID801026582
    • HY-N7016
    • AKOS040732717
    • AC-34190
    • DA-62074
    • PD143305
    • CS-0101579
    • NS00049437
    • Q3179543
    • (1S-(1R*,11S*,13R*,14R*,24S*,26R*))-13,26-DIMETHYL-2,15-DIOXA-12,25-DIAZATRICYCLO(22.2.2.211,14)TRIACONTANE-3,16-DIONE
    • 2,15-DIOXA-12,25-DIAZATRICYCLO(22.2.2.211,14)TRIACONTANE-3,16-DIONE, 13,26-DIMETHYL-, (1S,11R,13S,14S,24R,26S)-
    • 3463-92-1

  • Applications

    Carpaine, an alkaloid isolated from Carica papaya seeds (CAS 3463-92-1), is typically used in pharmaceutical research and natural product chemistry as a research chemical. It serves as an analytical reference standard and is employed as a synthetic intermediate in studies of nitrogen-containing alkaloids. In laboratory settings it supports method development for identification and quantification of alkaloids, as well as structure-activity investigations in medicinal chemistry. Applications are generally confined to research contexts and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.36
    methanol 10.76
    isopropanol 4.86
    water 0.53
    ethyl acetate 14.68
    n-propanol 9.06
    acetone 11.6
    n-butanol 9.98
    acetonitrile 4.83
    DMF 17.55
    toluene 10.67
    isobutanol 6.89
    1,4-dioxane 21.58
    methyl acetate 11.68
    THF 49.78
    2-butanone 18.92
    n-pentanol 10.57
    sec-butanol 7.1
    n-hexane 0.87
    ethylene glycol 2.11
    NMP 77.94
    cyclohexane 1.41
    DMSO 24.52
    n-butyl acetate 18.71
    n-octanol 9.23
    chloroform 56.07
    n-propyl acetate 14.66
    acetic acid 38.85
    dichloromethane 47.36
    cyclohexanone 51.93
    propylene glycol 3.49
    isopropyl acetate 13.02
    DMAc 61.61
    2-ethoxyethanol 25.95
    isopentanol 9.62
    n-heptane 0.78
    ethyl formate 13.89
    1,2-dichloroethane 23.31
    n-hexanol 8.75
    2-methoxyethanol 21.78
    isobutyl acetate 10.94
    tetrachloromethane 11.01
    n-pentyl acetate 29.11
    transcutol 95.74
    n-heptanol 10.7
    ethylbenzene 5.46
    MIBK 12.41
    2-propoxyethanol 27.89
    tert-butanol 4.26
    MTBE 4.83
    2-butoxyethanol 36.03
    propionic acid 18.74
    o-xylene 8.8
    formic acid 20.14
    diethyl ether 7.06
    m-xylene 7.76
    p-xylene 7.27
    chlorobenzene 18.34
    dimethyl carbonate 8.03
    n-octane 0.51
    formamide 20.63
    cyclopentanone 52.93
    2-pentanone 16.55
    anisole 8.51
    cyclopentyl methyl ether 21.55
    gamma-butyrolactone 65.92
    1-methoxy-2-propanol 16.95
    pyridine 29.43
    3-pentanone 15.15
    furfural 62.25
    n-dodecane 0.45
    diethylene glycol 16.83
    diisopropyl ether 2.98
    tert-amyl alcohol 6.89
    acetylacetone 21.26
    n-hexadecane 0.53
    acetophenone 17.54
    methyl propionate 14.25
    isopentyl acetate 19.68
    trichloroethylene 56.04
    n-nonanol 10.2
    cyclohexanol 15.16
    benzyl alcohol 14.67
    2-ethylhexanol 7.73
    isooctanol 9.13
    dipropyl ether 6.93
    1,2-dichlorobenzene 19.16
    ethyl lactate 12.49
    propylene carbonate 39.77
    n-methylformamide 14.03
    2-pentanol 6.2
    n-pentane 0.7
    1-propoxy-2-propanol 20.1
    1-methoxy-2-propyl acetate 25.55
    2-(2-methoxypropoxy) propanol 28.74
    mesitylene 4.7
    ε-caprolactone 59.01
    p-cymene 5.84
    epichlorohydrin 55.35
    1,1,1-trichloroethane 21.36
    2-aminoethanol 6.69
    morpholine-4-carbaldehyde 55.02
    sulfolane 89.37
    2,2,4-trimethylpentane 0.77
    2-methyltetrahydrofuran 29.68
    n-hexyl acetate 28.31
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 39.09
    sec-butyl acetate 11.82
    tert-butyl acetate 12.72
    decalin 1.32
    glycerin 9.47
    diglyme 61.19
    acrylic acid 19.78
    isopropyl myristate 8.65
    n-butyric acid 30.49
    acetyl acetate 14.47
    di(2-ethylhexyl) phthalate 17.02
    ethyl propionate 12.19
    nitromethane 32.4
    1,2-diethoxyethane 22.47
    benzonitrile 14.8
    trioctyl phosphate 10.7
    1-bromopropane 10.62
    gamma-valerolactone 87.94
    n-decanol 6.65
    triethyl phosphate 12.47
    4-methyl-2-pentanol 5.09
    propionitrile 5.74
    vinylene carbonate 38.79
    1,1,2-trichlorotrifluoroethane 57.2
    DMS 17.67
    cumene 4.62
    2-octanol 6.86
    2-hexanone 15.73
    octyl acetate 13.51
    limonene 6.9
    1,2-dimethoxyethane 23.5
    ethyl orthosilicate 11.86
    tributyl phosphate 13.39
    diacetone alcohol 17.79
    N,N-dimethylaniline 7.94
    acrylonitrile 7.67
    aniline 15.68
    1,3-propanediol 11.45
    bromobenzene 16.79
    dibromomethane 27.91
    1,1,2,2-tetrachloroethane 46.26
    2-methyl-cyclohexyl acetate 19.33
    tetrabutyl urea 17.69
    diisobutyl methanol 4.2
    2-phenylethanol 15.7
    styrene 5.77
    dioctyl adipate 16.95
    dimethyl sulfate 19.76
    ethyl butyrate 15.64
    methyl lactate 13.93
    butyl lactate 26.9
    diethyl carbonate 10.67
    propanediol butyl ether 26.1
    triethyl orthoformate 15.21
    p-tert-butyltoluene 4.81
    methyl 4-tert-butylbenzoate 28.28
    morpholine 30.81
    tert-butylamine 2.58
    n-dodecanol 4.39
    dimethoxymethane 14.96
    ethylene carbonate 32.83
    cyrene 34.39
    2-ethoxyethyl acetate 42.67
    2-ethylhexyl acetate 17.65
    1,2,4-trichlorobenzene 25.7
    4-methylpyridine 23.86
    dibutyl ether 8.13
    2,6-dimethyl-4-heptanol 4.2
    DEF 22.59
    dimethyl isosorbide 48.01
    tetrachloroethylene 39.64
    eugenol 27.11
    triacetin 36.21
    span 80 26.55
    1,4-butanediol 6.84
    1,1-dichloroethane 17.18
    2-methyl-1-pentanol 11.24
    methyl formate 11.24
    2-methyl-1-butanol 10.18
    n-decane 0.92
    butyronitrile 7.45
    3,7-dimethyl-1-octanol 7.98
    1-chlorooctane 4.89
    1-chlorotetradecane 1.74
    n-nonane 0.73
    undecane 0.61
    tert-butylcyclohexane 0.9
    cyclooctane 0.73
    cyclopentanol 15.91
    tetrahydropyran 22.07
    tert-amyl methyl ether 7.42
    2,5,8-trioxanonane 39.34
    1-hexene 3.36
    2-isopropoxyethanol 19.14
    2,2,2-trifluoroethanol 23.52
    methyl butyrate 17.17

    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