2-Henicosyl-4,5-dihydro-1H-imidazole-1-ethanol

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  • Identifiers

    CAS number
    39957-00-1

    Molecular formula
    C26H52N2O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC1=NCCN1C(C)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 56.16%
    Fatty 43.89%
    Oily 35.9%
    Odorless 28.29%
    Meaty 26.4%
    Animal 24.89%
    Fishy 24.85%
    Fresh 23.38%
    Woody 22.92%
    Savory 22.45%

     

    Flavor
    Bland 33.73%
    Waxy 30.5%
    Mild 29.03%
    Faint 24.51%
    Fatty 23.7%
    Odorless 23.33%
    Slightly waxy 22.53%
    Delicate 21.73%
    Bay oil 20.47%
    Beer 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    7.07 (neutral)

    Molecular weight
    408.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    568°C

    Flash point

    • 209.63 ˚C est.

  • Synonyms

    • 39957-00-1
    • 1-(1-Hydroxyethyl)-2-henicosyl-2-imidazoline
    • 2-Henicosyl-4,5-dihydro-1H-imidazole-1-ethanol
    • 1-(2-henicosyl-4,5-dihydroimidazol-1-yl)ethanol
    • EINECS 254-719-1
    • 1-(2-Henicosyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-ol
    • DTXSID30960466
    • JYFKEXZEVKCZDQ-UHFFFAOYSA-N
    • 39957-00-1

  • Applications

    2-Henicosyl-4,5-dihydro-1H-imidazole-1-ethanol (CAS 39957-00-1) is a long-chain imidazole derivative typically used as a chemical intermediate and specialty additive. It serves as a precursor for imidazoline-based surfactants and corrosion inhibitors, with practical applications in detergents, cleaners, metalworking fluids, and protective coatings. The molecule can function as a surfactant or co-surfactant to improve wetting, dispersion, and emulsification in industrial formulations and household products, and it may be considered for inclusion in cosmetics and personal care formulations under appropriate regulation. The hydrophobic henicosyl substituent also enables use as a building block for polymerizable monomers or crosslinking agents in specialty polymers and coatings. Use and handling should be guided by local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.47
    methanol 53.06
    isopropanol 43.11
    water 0.85
    ethyl acetate 327.93
    n-propanol 69.86
    acetone 194.26
    n-butanol 77.21
    acetonitrile 76.48
    DMF 279.86
    toluene 151.24
    isobutanol 75.58
    1,4-dioxane 320.98
    methyl acetate 232.05
    THF 730.5
    2-butanone 275.22
    n-pentanol 60.31
    sec-butanol 78.5
    n-hexane 34.91
    ethylene glycol 7.46
    NMP 870.47
    cyclohexane 173.52
    DMSO 326.04
    n-butyl acetate 332.12
    n-octanol 82.73
    chloroform 1246.93
    n-propyl acetate 353.37
    acetic acid 191.39
    dichloromethane 1246.85
    cyclohexanone 857.57
    propylene glycol 16.87
    isopropyl acetate 298.17
    DMAc 614.59
    2-ethoxyethanol 127.0
    isopentanol 94.89
    n-heptane 39.97
    ethyl formate 172.79
    1,2-dichloroethane 659.14
    n-hexanol 61.68
    2-methoxyethanol 134.95
    isobutyl acetate 259.59
    tetrachloromethane 373.49
    n-pentyl acetate 473.3
    transcutol 524.44
    n-heptanol 85.13
    ethylbenzene 82.53
    MIBK 227.63
    2-propoxyethanol 145.82
    tert-butanol 76.25
    MTBE 159.34
    2-butoxyethanol 209.89
    propionic acid 176.84
    o-xylene 129.74
    formic acid 56.58
    diethyl ether 151.27
    m-xylene 103.53
    p-xylene 139.6
    chlorobenzene 317.56
    dimethyl carbonate 119.36
    n-octane 18.76
    formamide 85.4
    cyclopentanone 834.77
    2-pentanone 272.27
    anisole 157.97
    cyclopentyl methyl ether 438.31
    gamma-butyrolactone 925.31
    1-methoxy-2-propanol 135.9
    pyridine 406.27
    3-pentanone 289.17
    furfural 570.12
    n-dodecane 10.31
    diethylene glycol 64.58
    diisopropyl ether 85.1
    tert-amyl alcohol 114.93
    acetylacetone 392.27
    n-hexadecane 12.63
    acetophenone 257.58
    methyl propionate 260.25
    isopentyl acetate 320.48
    trichloroethylene 1176.39
    n-nonanol 90.78
    cyclohexanol 224.87
    benzyl alcohol 112.85
    2-ethylhexanol 88.05
    isooctanol 93.67
    dipropyl ether 195.97
    1,2-dichlorobenzene 363.92
    ethyl lactate 141.64
    propylene carbonate 612.81
    n-methylformamide 129.84
    2-pentanol 69.58
    n-pentane 29.59
    1-propoxy-2-propanol 168.98
    1-methoxy-2-propyl acetate 310.07
    2-(2-methoxypropoxy) propanol 181.42
    mesitylene 84.78
    ε-caprolactone 812.71
    p-cymene 86.03
    epichlorohydrin 740.88
    1,1,1-trichloroethane 850.5
    2-aminoethanol 27.42
    morpholine-4-carbaldehyde 471.07
    sulfolane 1249.94
    2,2,4-trimethylpentane 29.53
    2-methyltetrahydrofuran 570.43
    n-hexyl acetate 388.79
    isooctane 12.99
    2-(2-butoxyethoxy)ethanol 225.7
    sec-butyl acetate 270.6
    tert-butyl acetate 335.24
    decalin 48.14
    glycerin 37.82
    diglyme 581.3
    acrylic acid 141.39
    isopropyl myristate 131.49
    n-butyric acid 323.66
    acetyl acetate 292.23
    di(2-ethylhexyl) phthalate 128.3
    ethyl propionate 292.12
    nitromethane 343.88
    1,2-diethoxyethane 303.89
    benzonitrile 176.11
    trioctyl phosphate 95.18
    1-bromopropane 337.27
    gamma-valerolactone 943.48
    n-decanol 57.02
    triethyl phosphate 217.95
    4-methyl-2-pentanol 58.4
    propionitrile 106.06
    vinylene carbonate 484.2
    1,1,2-trichlorotrifluoroethane 609.5
    DMS 250.72
    cumene 67.44
    2-octanol 76.4
    2-hexanone 243.46
    octyl acetate 167.8
    limonene 146.81
    1,2-dimethoxyethane 310.6
    ethyl orthosilicate 211.69
    tributyl phosphate 134.8
    diacetone alcohol 240.58
    N,N-dimethylaniline 126.81
    acrylonitrile 108.57
    aniline 161.78
    1,3-propanediol 54.0
    bromobenzene 381.94
    dibromomethane 707.31
    1,1,2,2-tetrachloroethane 1073.57
    2-methyl-cyclohexyl acetate 289.71
    tetrabutyl urea 177.85
    diisobutyl methanol 69.39
    2-phenylethanol 108.09
    styrene 102.54
    dioctyl adipate 230.85
    dimethyl sulfate 304.29
    ethyl butyrate 347.12
    methyl lactate 116.29
    butyl lactate 277.14
    diethyl carbonate 223.4
    propanediol butyl ether 135.55
    triethyl orthoformate 306.91
    p-tert-butyltoluene 76.99
    methyl 4-tert-butylbenzoate 301.02
    morpholine 379.32
    tert-butylamine 60.4
    n-dodecanol 39.88
    dimethoxymethane 184.65
    ethylene carbonate 471.54
    cyrene 229.25
    2-ethoxyethyl acetate 466.77
    2-ethylhexyl acetate 302.12
    1,2,4-trichlorobenzene 455.51
    4-methylpyridine 337.15
    dibutyl ether 204.37
    2,6-dimethyl-4-heptanol 69.39
    DEF 402.98
    dimethyl isosorbide 425.75
    tetrachloroethylene 780.45
    eugenol 223.23
    triacetin 460.36
    span 80 182.6
    1,4-butanediol 25.75
    1,1-dichloroethane 502.48
    2-methyl-1-pentanol 79.42
    methyl formate 115.21
    2-methyl-1-butanol 101.41
    n-decane 23.95
    butyronitrile 124.47
    3,7-dimethyl-1-octanol 91.84
    1-chlorooctane 109.05
    1-chlorotetradecane 35.01
    n-nonane 22.63
    undecane 14.48
    tert-butylcyclohexane 32.01
    cyclooctane 44.7
    cyclopentanol 226.54
    tetrahydropyran 484.33
    tert-amyl methyl ether 198.15
    2,5,8-trioxanonane 327.4
    1-hexene 73.55
    2-isopropoxyethanol 125.23
    2,2,2-trifluoroethanol 154.47
    methyl butyrate 398.44

    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