(25Z)-N-[2-(1H-Indol-3-YL)ethyl]triacont-25-enamide

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  • Identifiers

    CAS number
    223696-37-5

    Molecular formula
    C40H68N2O

    SMILES
    CCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21

    Safety labels

  • Odor profile

    Fragrance
    Waxy 57.51%
    Fatty 45.16%
    Oily 30.38%
    Meaty 30.37%
    Odorless 29.03%
    Savory 27.89%
    Fishy 27.14%
    Animal 26.7%
    Burnt 21.51%
    Cooked 17.41%

     

    Flavor
    Bland 30.43%
    Faint 25.78%
    Mild 25.59%
    Waxy 22.73%
    Odorless 22.45%
    Slightly waxy 21.07%
    Delicate 20.42%
    Diterpene 19.3%
    Low 19.11%
    Bay oil 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.8

    pKa est.
    -9699.47 (strong acid)

    Molecular weight
    593.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1059°C

    Melting point expt.

    • 121 - 123 °C

    Flash point

    • -48730.71 ˚C est.

  • Synonyms

    • Cheritamine
    • Nb-(25-Triacontenoyl)tryptamine
    • DTXSID401225411
    • (25Z)-N-[2-(1H-INDOL-3-YL)ETHYL]TRIACONT-25-ENAMIDE
    • (25Z)-N-[2-(1H-Indol-3-yl)ethyl]-25-triacontenamide
    • 223696-37-5
    • 223696-37-5

  • Applications

    (25Z)-N-[2-(1H-Indol-3-YL)ethyl]triacont-25-enamide, CAS 223696-37-5, is a long-chain amide bearing an indole-containing side group. In real-world use, it is typically considered as an intermediate and specialty ingredient with potential applications in perfumery/fragrance (fragrance constituent or fixative); cosmetics/personal care (scent component or carrier element in high-end formulations); polymers/plastics (processing additive or compatibility-enhancing wax-like component); coatings/inks (slip-improving additive or aroma-bearing additive); and industrial manufacturing as an intermediate in the synthesis of more complex molecules for niche applications. Any use would be subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.47
    methanol 6.52
    isopropanol 3.57
    water 0.18
    ethyl acetate 22.68
    n-propanol 6.99
    acetone 19.27
    n-butanol 8.1
    acetonitrile 3.51
    DMF 25.65
    toluene 11.43
    isobutanol 5.96
    1,4-dioxane 23.28
    methyl acetate 17.82
    THF 67.81
    2-butanone 30.52
    n-pentanol 9.4
    sec-butanol 7.65
    n-hexane 4.03
    ethylene glycol 0.53
    NMP 88.64
    cyclohexane 5.38
    DMSO 28.86
    n-butyl acetate 25.08
    n-octanol 9.67
    chloroform 102.53
    n-propyl acetate 29.04
    acetic acid 13.66
    dichloromethane 93.7
    cyclohexanone 75.69
    propylene glycol 1.41
    isopropyl acetate 20.37
    DMAc 90.93
    2-ethoxyethanol 18.65
    isopentanol 8.62
    n-heptane 3.29
    ethyl formate 13.6
    1,2-dichloroethane 46.62
    n-hexanol 6.88
    2-methoxyethanol 13.41
    isobutyl acetate 21.17
    tetrachloromethane 23.63
    n-pentyl acetate 47.42
    transcutol 65.17
    n-heptanol 10.44
    ethylbenzene 10.49
    MIBK 19.8
    2-propoxyethanol 18.08
    tert-butanol 4.91
    MTBE 15.28
    2-butoxyethanol 27.38
    propionic acid 11.54
    o-xylene 9.99
    formic acid 4.74
    diethyl ether 13.89
    m-xylene 7.97
    p-xylene 14.14
    chlorobenzene 22.59
    dimethyl carbonate 12.35
    n-octane 2.28
    formamide 7.38
    cyclopentanone 75.49
    2-pentanone 26.61
    anisole 18.43
    cyclopentyl methyl ether 33.02
    gamma-butyrolactone 71.67
    1-methoxy-2-propanol 13.37
    pyridine 31.03
    3-pentanone 29.69
    furfural 48.68
    n-dodecane 1.14
    diethylene glycol 5.82
    diisopropyl ether 6.45
    tert-amyl alcohol 10.81
    acetylacetone 31.94
    n-hexadecane 1.32
    acetophenone 29.6
    methyl propionate 22.57
    isopentyl acetate 26.87
    trichloroethylene 90.75
    n-nonanol 11.31
    cyclohexanol 12.55
    benzyl alcohol 11.85
    2-ethylhexanol 8.61
    isooctanol 10.89
    dipropyl ether 17.14
    1,2-dichlorobenzene 27.15
    ethyl lactate 13.15
    propylene carbonate 46.23
    n-methylformamide 10.64
    2-pentanol 6.8
    n-pentane 2.55
    1-propoxy-2-propanol 17.88
    1-methoxy-2-propyl acetate 28.17
    2-(2-methoxypropoxy) propanol 25.88
    mesitylene 5.34
    ε-caprolactone 79.57
    p-cymene 7.33
    epichlorohydrin 69.72
    1,1,1-trichloroethane 49.36
    2-aminoethanol 2.23
    morpholine-4-carbaldehyde 47.45
    sulfolane 104.85
    2,2,4-trimethylpentane 2.88
    2-methyltetrahydrofuran 48.12
    n-hexyl acetate 39.14
    isooctane 1.07
    2-(2-butoxyethoxy)ethanol 30.32
    sec-butyl acetate 24.96
    tert-butyl acetate 24.91
    decalin 3.8
    glycerin 2.85
    diglyme 65.58
    acrylic acid 8.98
    isopropyl myristate 13.45
    n-butyric acid 24.99
    acetyl acetate 15.78
    di(2-ethylhexyl) phthalate 15.48
    ethyl propionate 27.7
    nitromethane 24.11
    1,2-diethoxyethane 36.13
    benzonitrile 11.12
    trioctyl phosphate 11.12
    1-bromopropane 29.28
    gamma-valerolactone 97.19
    n-decanol 7.05
    triethyl phosphate 21.53
    4-methyl-2-pentanol 5.77
    propionitrile 5.68
    vinylene carbonate 37.29
    1,1,2-trichlorotrifluoroethane 54.44
    DMS 23.98
    cumene 8.04
    2-octanol 9.88
    2-hexanone 32.38
    octyl acetate 17.29
    limonene 11.38
    1,2-dimethoxyethane 37.5
    ethyl orthosilicate 23.06
    tributyl phosphate 15.1
    diacetone alcohol 21.46
    N,N-dimethylaniline 15.88
    acrylonitrile 5.6
    aniline 10.37
    1,3-propanediol 4.96
    bromobenzene 23.86
    dibromomethane 54.15
    1,1,2,2-tetrachloroethane 88.42
    2-methyl-cyclohexyl acetate 29.82
    tetrabutyl urea 22.52
    diisobutyl methanol 6.03
    2-phenylethanol 11.54
    styrene 10.67
    dioctyl adipate 25.28
    dimethyl sulfate 30.67
    ethyl butyrate 29.33
    methyl lactate 10.92
    butyl lactate 33.38
    diethyl carbonate 18.57
    propanediol butyl ether 17.27
    triethyl orthoformate 29.21
    p-tert-butyltoluene 6.47
    methyl 4-tert-butylbenzoate 37.26
    morpholine 27.18
    tert-butylamine 3.7
    n-dodecanol 4.68
    dimethoxymethane 21.74
    ethylene carbonate 32.93
    cyrene 32.09
    2-ethoxyethyl acetate 54.41
    2-ethylhexyl acetate 26.49
    1,2,4-trichlorobenzene 33.37
    4-methylpyridine 28.4
    dibutyl ether 20.03
    2,6-dimethyl-4-heptanol 6.03
    DEF 35.21
    dimethyl isosorbide 51.87
    tetrachloroethylene 60.6
    eugenol 31.36
    triacetin 45.53
    span 80 23.08
    1,4-butanediol 3.08
    1,1-dichloroethane 36.0
    2-methyl-1-pentanol 12.36
    methyl formate 9.85
    2-methyl-1-butanol 10.26
    n-decane 2.79
    butyronitrile 7.38
    3,7-dimethyl-1-octanol 9.11
    1-chlorooctane 11.03
    1-chlorotetradecane 3.26
    n-nonane 2.59
    undecane 1.68
    tert-butylcyclohexane 2.88
    cyclooctane 2.25
    cyclopentanol 12.35
    tetrahydropyran 33.07
    tert-amyl methyl ether 19.97
    2,5,8-trioxanonane 38.09
    1-hexene 9.92
    2-isopropoxyethanol 16.07
    2,2,2-trifluoroethanol 9.91
    methyl butyrate 37.67

    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