(2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide

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  • Identifiers

    CAS number
    62726-18-5

    Molecular formula
    C26H47NO

    SMILES
    CCCCCCCCCCC/C=C\CCCC/C=C/C=C/C(=O)NCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 50.75%
    Meaty 43.89%
    Herbal 37.38%
    Oily 36.67%
    Waxy 36.02%
    Savory 33.83%
    Fruity 29.77%
    Spicy 29.07%
    Citrus 27.46%
    Woody 24.43%

     

    Flavor
    Herbal 30.31%
    Faint 24.25%
    Delicate 20.75%
    Diterpene 20.66%
    Oriental 20.66%
    Low 20.44%
    Slightly waxy 19.76%
    Terpentine 19.54%
    Outdoor 19.06%
    Sandalwood 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    8.43 (weak base)

    Molecular weight
    389.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 227.03 ˚C est.

  • Synonyms

    • Filfiline
    • 62726-18-5
    • (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide
    • DTXSID601208007
    • 2,4,10-Docosarienamide, N-(2-methylpropyl)-, (E,E,Z)-
    • (2E,4E,10Z)-N-(2-Methylpropyl)-2,4,10-docosatrienamide
    • 62726-18-5

  • Applications

    (2E,4E,10Z)-N-(2-methylpropyl)docosa-2,4,10-trienamide (CAS 62726-18-5) has practical applications across several industries due to its long-chain polyene amide structure; it may be used as a fragrance ingredient or fixative in perfumery and personal care formulations. In cosmetics, it may be considered as a conditioning agent or an auxiliary component for specialty formulas. As a long-chain amide, it can also be viewed as an intermediate or building block in organic synthesis for industrial production, and is sometimes employed as an additive in polymer or coating systems to improve processability or surface properties. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.88
    methanol 29.38
    isopropanol 25.66
    water 0.03
    ethyl acetate 101.61
    n-propanol 31.74
    acetone 79.35
    n-butanol 43.42
    acetonitrile 17.32
    DMF 89.36
    toluene 47.02
    isobutanol 31.56
    1,4-dioxane 103.42
    methyl acetate 58.9
    THF 321.13
    2-butanone 109.37
    n-pentanol 40.53
    sec-butanol 40.57
    n-hexane 11.99
    ethylene glycol 1.35
    NMP 237.61
    cyclohexane 42.86
    DMSO 127.68
    n-butyl acetate 129.57
    n-octanol 43.48
    chloroform 278.46
    n-propyl acetate 138.06
    acetic acid 44.84
    dichloromethane 270.72
    cyclohexanone 313.27
    propylene glycol 6.06
    isopropyl acetate 112.49
    DMAc 262.04
    2-ethoxyethanol 70.39
    isopentanol 60.37
    n-heptane 11.73
    ethyl formate 44.99
    1,2-dichloroethane 183.25
    n-hexanol 37.96
    2-methoxyethanol 59.49
    isobutyl acetate 106.79
    tetrachloromethane 64.11
    n-pentyl acetate 182.36
    transcutol 459.44
    n-heptanol 45.31
    ethylbenzene 39.39
    MIBK 126.89
    2-propoxyethanol 82.02
    tert-butanol 47.96
    MTBE 93.97
    2-butoxyethanol 109.85
    propionic acid 37.61
    o-xylene 45.24
    formic acid 8.15
    diethyl ether 64.75
    m-xylene 39.98
    p-xylene 54.42
    chlorobenzene 83.57
    dimethyl carbonate 24.16
    n-octane 6.78
    formamide 14.17
    cyclopentanone 262.34
    2-pentanone 122.64
    anisole 81.85
    cyclopentyl methyl ether 157.28
    gamma-butyrolactone 199.51
    1-methoxy-2-propanol 71.41
    pyridine 111.73
    3-pentanone 97.18
    furfural 141.95
    n-dodecane 4.24
    diethylene glycol 25.09
    diisopropyl ether 35.28
    tert-amyl alcohol 67.69
    acetylacetone 142.72
    n-hexadecane 5.08
    acetophenone 111.66
    methyl propionate 68.45
    isopentyl acetate 145.84
    trichloroethylene 330.05
    n-nonanol 45.98
    cyclohexanol 80.72
    benzyl alcohol 47.84
    2-ethylhexanol 44.99
    isooctanol 51.29
    dipropyl ether 79.46
    1,2-dichlorobenzene 98.55
    ethyl lactate 48.31
    propylene carbonate 131.93
    n-methylformamide 28.1
    2-pentanol 37.46
    n-pentane 8.16
    1-propoxy-2-propanol 91.51
    1-methoxy-2-propyl acetate 137.69
    2-(2-methoxypropoxy) propanol 107.77
    mesitylene 31.78
    ε-caprolactone 254.82
    p-cymene 33.28
    epichlorohydrin 253.34
    1,1,1-trichloroethane 212.06
    2-aminoethanol 7.6
    morpholine-4-carbaldehyde 155.64
    sulfolane 347.85
    2,2,4-trimethylpentane 12.78
    2-methyltetrahydrofuran 226.71
    n-hexyl acetate 167.7
    isooctane 6.77
    2-(2-butoxyethoxy)ethanol 148.78
    sec-butyl acetate 119.59
    tert-butyl acetate 161.56
    decalin 19.87
    glycerin 10.16
    diglyme 327.47
    acrylic acid 24.4
    isopropyl myristate 55.07
    n-butyric acid 109.22
    acetyl acetate 67.81
    di(2-ethylhexyl) phthalate 52.03
    ethyl propionate 104.72
    nitromethane 80.6
    1,2-diethoxyethane 170.23
    benzonitrile 54.7
    trioctyl phosphate 36.41
    1-bromopropane 112.49
    gamma-valerolactone 327.82
    n-decanol 29.0
    triethyl phosphate 67.73
    4-methyl-2-pentanol 36.33
    propionitrile 28.21
    vinylene carbonate 89.05
    1,1,2-trichlorotrifluoroethane 162.91
    DMS 67.79
    cumene 33.13
    2-octanol 38.71
    2-hexanone 139.98
    octyl acetate 65.5
    limonene 56.42
    1,2-dimethoxyethane 180.31
    ethyl orthosilicate 77.06
    tributyl phosphate 48.11
    diacetone alcohol 144.25
    N,N-dimethylaniline 65.96
    acrylonitrile 24.32
    aniline 45.6
    1,3-propanediol 20.92
    bromobenzene 93.07
    dibromomethane 173.36
    1,1,2,2-tetrachloroethane 339.41
    2-methyl-cyclohexyl acetate 124.58
    tetrabutyl urea 75.67
    diisobutyl methanol 38.39
    2-phenylethanol 50.05
    styrene 42.51
    dioctyl adipate 94.54
    dimethyl sulfate 58.47
    ethyl butyrate 124.3
    methyl lactate 34.35
    butyl lactate 117.99
    diethyl carbonate 65.16
    propanediol butyl ether 82.77
    triethyl orthoformate 110.16
    p-tert-butyltoluene 32.58
    methyl 4-tert-butylbenzoate 133.94
    morpholine 144.51
    tert-butylamine 33.53
    n-dodecanol 19.95
    dimethoxymethane 72.58
    ethylene carbonate 84.46
    cyrene 106.95
    2-ethoxyethyl acetate 195.86
    2-ethylhexyl acetate 124.1
    1,2,4-trichlorobenzene 121.99
    4-methylpyridine 117.14
    dibutyl ether 100.94
    2,6-dimethyl-4-heptanol 38.39
    DEF 142.76
    dimethyl isosorbide 223.94
    tetrachloroethylene 199.78
    eugenol 106.81
    triacetin 162.81
    span 80 104.47
    1,4-butanediol 9.75
    1,1-dichloroethane 157.49
    2-methyl-1-pentanol 59.93
    methyl formate 21.4
    2-methyl-1-butanol 54.56
    n-decane 9.69
    butyronitrile 46.46
    3,7-dimethyl-1-octanol 52.11
    1-chlorooctane 46.93
    1-chlorotetradecane 14.05
    n-nonane 9.03
    undecane 5.99
    tert-butylcyclohexane 15.62
    cyclooctane 11.67
    cyclopentanol 63.08
    tetrahydropyran 190.99
    tert-amyl methyl ether 94.01
    2,5,8-trioxanonane 177.52
    1-hexene 35.68
    2-isopropoxyethanol 70.33
    2,2,2-trifluoroethanol 17.97
    methyl butyrate 153.13

    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