N-[2-(1H-indol-3-yl)ethyl]docosanamide

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  • Identifiers

    CAS number
    7367-79-5

    Molecular formula
    C32H54N2O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21

  • Odor profile

    Waxy 50.09%
    Fatty 37.44%
    Meaty 32.78%
    Odorless 31.29%
    Animal 30.92%
    Savory 30.83%
    Fishy 28.24%
    Oily 25.02%
    Burnt 23.1%
    Cheesy 19.58%

    Scent© AI

  • Properties

    XLogP3-AA
    12.4

    Molecular weight
    482.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    837°C

    Melting point expt.

    • 121 - 123 °C

    Flash point est.
    -94.84 ˚C

  • Synonyms

    • N-behenoyltryptamine
    • N-[2-(1H-indol-3-yl)ethyl]docosanamide
    • 7367-79-5
    • Behenic acid tryptamide
    • Docosanoic acid tryptamide
    • Nb-Behenoyltryptamine
    • Nb-Docosanoyltryptamine
    • 3-[2-(Docosanoylaminoethyl)]indole
    • n-(2-(1h-indol-3-yl)ethyl)docosanamide
    • 3-(2-(Docosanoylaminoethyl))indole
    • N-(2-(1H-indol-3-yl)Ethyl)docosanimidate
    • N-[2-(1H-indol-3-yl)Ethyl]docosanimidate
    • CHEMBL490312
    • SCHEMBL3806536
    • CHEBI:166545
    • HAA36779
    • Docosanamide, N-[2-(1H-indol-3-yl)ethyl]- (9CI, ACI); Docosanamide, N-(2-indol-3-ylethyl)- (7CI, 8CI); N-[2-(1H-Indol-3-yl)ethyl]docosanamide (ACI); Behenic acid tryptamide; N-Behenoyltryptamine

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.22
    methanol 16.97
    isopropanol 6.79
    water 0.7
    ethyl acetate 30.24
    n-propanol 12.1
    acetone 34.73
    n-butanol 12.93
    acetonitrile 6.69
    DMF 50.33
    toluene 10.42
    isobutanol 9.76
    1,4-dioxane 34.47
    methyl acetate 28.09
    THF 97.48
    2-butanone 44.47
    n-pentanol 13.41
    sec-butanol 11.65
    n-hexane 3.29
    ethylene glycol 1.45
    NMP 135.24
    cyclohexane 4.73
    DMSO 52.61
    n-butyl acetate 35.36
    n-octanol 11.54
    chloroform 132.15
    n-propyl acetate 42.3
    acetic acid 27.15
    dichloromethane 127.54
    cyclohexanone 104.2
    propylene glycol 3.04
    isopropyl acetate 26.29
    DMAc 146.97
    2-ethoxyethanol 31.53
    isopentanol 12.99
    n-heptane 2.59
    ethyl formate 23.84
    1,2-dichloroethane 64.71
    n-hexanol 9.3
    2-methoxyethanol 26.64
    isobutyl acetate 29.74
    tetrachloromethane 28.51
    n-pentyl acetate 61.26
    transcutol 101.12
    n-heptanol 13.47
    ethylbenzene 9.37
    MIBK 25.24
    2-propoxyethanol 27.63
    tert-butanol 8.31
    MTBE 18.48
    2-butoxyethanol 39.89
    propionic acid 20.65
    o-xylene 9.04
    formic acid 12.3
    diethyl ether 16.12
    m-xylene 7.19
    p-xylene 14.64
    chlorobenzene 26.18
    dimethyl carbonate 17.98
    n-octane 1.93
    formamide 20.34
    cyclopentanone 111.35
    2-pentanone 35.74
    anisole 21.31
    cyclopentyl methyl ether 38.23
    gamma-butyrolactone 113.09
    1-methoxy-2-propanol 22.63
    pyridine 42.49
    3-pentanone 36.66
    furfural 80.49
    n-dodecane 1.0
    diethylene glycol 11.12
    diisopropyl ether 6.38
    tert-amyl alcohol 15.02
    acetylacetone 47.88
    n-hexadecane 1.15
    acetophenone 37.61
    methyl propionate 30.64
    isopentyl acetate 36.21
    trichloroethylene 122.39
    n-nonanol 13.01
    cyclohexanol 17.39
    benzyl alcohol 16.64
    2-ethylhexanol 10.19
    isooctanol 13.37
    dipropyl ether 17.76
    1,2-dichlorobenzene 31.08
    ethyl lactate 20.29
    propylene carbonate 72.05
    n-methylformamide 22.75
    2-pentanol 9.23
    n-pentane 2.21
    1-propoxy-2-propanol 24.56
    1-methoxy-2-propyl acetate 37.11
    2-(2-methoxypropoxy) propanol 33.84
    mesitylene 4.76
    ε-caprolactone 106.13
    p-cymene 7.24
    epichlorohydrin 99.55
    1,1,1-trichloroethane 59.09
    2-aminoethanol 5.15
    morpholine-4-carbaldehyde 75.04
    sulfolane 159.38
    2,2,4-trimethylpentane 2.27
    2-methyltetrahydrofuran 61.51
    n-hexyl acetate 47.57
    isooctane 0.86
    2-(2-butoxyethoxy)ethanol 41.81
    sec-butyl acetate 32.25
    tert-butyl acetate 32.33
    decalin 2.9
    glycerin 6.05
    diglyme 93.93
    acrylic acid 17.14
    isopropyl myristate 14.67
    n-butyric acid 40.3
    acetyl acetate 21.87
    di(2-ethylhexyl) phthalate 19.25
    ethyl propionate 35.92
    nitromethane 48.51
    1,2-diethoxyethane 45.72
    benzonitrile 16.09
    trioctyl phosphate 13.44
    1-bromopropane 32.25
    gamma-valerolactone 148.37
    n-decanol 8.1
    triethyl phosphate 26.62
    4-methyl-2-pentanol 7.01
    propionitrile 9.15
    vinylene carbonate 58.77
    1,1,2-trichlorotrifluoroethane 82.94
    DMS 33.78
    cumene 7.58
    2-octanol 11.82
    2-hexanone 42.58
    octyl acetate 19.75
    limonene 10.9
    1,2-dimethoxyethane 61.62
    ethyl orthosilicate 27.25
    tributyl phosphate 18.82
    diacetone alcohol 31.22
    N,N-dimethylaniline 16.93
    acrylonitrile 9.8
    aniline 13.39
    1,3-propanediol 10.35
    bromobenzene 25.24
    dibromomethane 69.75
    1,1,2,2-tetrachloroethane 111.25
    2-methyl-cyclohexyl acetate 35.97
    tetrabutyl urea 27.69
    diisobutyl methanol 6.55
    2-phenylethanol 14.84
    styrene 10.45
    dioctyl adipate 28.81
    dimethyl sulfate 44.18
    ethyl butyrate 36.44
    methyl lactate 16.57
    butyl lactate 44.17
    diethyl carbonate 24.09
    propanediol butyl ether 26.09
    triethyl orthoformate 34.98
    p-tert-butyltoluene 6.17
    methyl 4-tert-butylbenzoate 44.02
    morpholine 41.97
    tert-butylamine 5.48
    n-dodecanol 5.45
    dimethoxymethane 34.3
    ethylene carbonate 50.01
    cyrene 43.23
    2-ethoxyethyl acetate 73.53
    2-ethylhexyl acetate 33.76
    1,2,4-trichlorobenzene 40.25
    4-methylpyridine 36.89
    dibutyl ether 21.87
    2,6-dimethyl-4-heptanol 6.55
    DEF 48.42
    dimethyl isosorbide 67.65
    tetrachloroethylene 80.55
    eugenol 43.62
    triacetin 60.78
    span 80 29.37
    1,4-butanediol 6.22
    1,1-dichloroethane 45.82
    2-methyl-1-pentanol 16.06
    methyl formate 20.48
    2-methyl-1-butanol 14.58
    n-decane 2.34
    butyronitrile 11.57
    3,7-dimethyl-1-octanol 10.45
    1-chlorooctane 11.05
    1-chlorotetradecane 3.23
    n-nonane 2.2
    undecane 1.42
    tert-butylcyclohexane 2.3
    cyclooctane 1.57
    cyclopentanol 20.14
    tetrahydropyran 41.11
    tert-amyl methyl ether 20.13
    2,5,8-trioxanonane 52.77
    1-hexene 9.74
    2-isopropoxyethanol 24.69
    2,2,2-trifluoroethanol 21.31
    methyl butyrate 53.39

    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