1H-Imidazole-1-ethanol, 4,5-dihydro-2-isoheptadecyl-

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  • Identifiers

    CAS number
    68966-38-1

    Molecular formula
    C22H44N2O

    SMILES
    CC(C)CCCCCCCCCCCCCCC1=NCCN1CCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 51.61%
    Oily 31.56%
    Odorless 31.51%
    Fatty 31.15%
    Animal 29.12%
    Fishy 28.3%
    Woody 26.57%
    Fresh 23.85%
    Meaty 22.22%
    Savory 20.89%

     

    Flavor
    Bland 32.64%
    Mild 29.27%
    Waxy 26.02%
    Fatty 23.44%
    Odorless 23.17%
    Faint 23.07%
    Slightly waxy 22.15%
    Delicate 21.97%
    Bay oil 20.34%
    Diterpene 20.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    8.77 (weak base)

    Molecular weight
    352.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    475°C

    Flash point

    • 210.81 ˚C est.

  • Synonyms

    • Isostearyl imidazoline
    • Isostearyl hydroxyethyl imidazoline
    • 1H-Imidazole-1-ethanol, 4,5-dihydro-2-isoheptadecyl-
    • M8ATF0399X
    • UNII-M8ATF0399X
    • DTXSID2071940
    • SCHERCOZOLINE I IMIDAZOLINE
    • EINECS 273-429-6
    • 4,5-Dihydro-2-isoheptadecyl-1H-imidazole-1-ethanol
    • 2-Isoheptadecyl-4,5-dihydro-1H-imidazole-1-ethanol
    • RefChem:79782
    • DTXCID6046428
    • ISOSTEARYL HYDROXYETHYL IMIDAZOLINE [INCI]
    • 68966-38-1
    • AVPHZAHGVBYDBS-UHFFFAOYSA-N
    • NS00013799
    • Q27283629
    • 2-[2-(15-Methylhexadecyl)-4,5-dihydro-1H-imidazol-1-yl]ethan-1-ol
    • 68966-38-1

  • Applications

    1H-Imidazole-1-ethanol, 4,5-dihydro-2-isoheptadecyl- (CAS 68966-38-1) has potential applications as an intermediate in organic synthesis for fine chemicals and pharmaceutical development; as a specialty solvent or co-solvent in coatings, inks, and cleaning formulations; as a surfactant component or emulsifier in polymer, coatings, and detergent formulations; as a plasticizer or processing aid to improve flexibility and processing of certain polymers; as a processing stabilizer additive to enhance thermal stability in polymer and coating systems; and as a fragrance-related component or odorant/fixative candidate in perfumery and cosmetic formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.62
    methanol 172.3
    isopropanol 131.57
    water 0.67
    ethyl acetate 496.68
    n-propanol 189.37
    acetone 357.79
    n-butanol 207.48
    acetonitrile 140.76
    DMF 355.81
    toluene 180.21
    isobutanol 180.54
    1,4-dioxane 478.18
    methyl acetate 348.83
    THF 912.05
    2-butanone 400.11
    n-pentanol 135.06
    sec-butanol 167.27
    n-hexane 27.07
    ethylene glycol 18.03
    NMP 632.08
    cyclohexane 133.75
    DMSO 535.37
    n-butyl acetate 449.98
    n-octanol 114.57
    chloroform 1481.43
    n-propyl acetate 499.33
    acetic acid 359.13
    dichloromethane 1455.3
    cyclohexanone 948.16
    propylene glycol 41.07
    isopropyl acetate 425.46
    DMAc 587.11
    2-ethoxyethanol 272.4
    isopentanol 226.71
    n-heptane 33.85
    ethyl formate 302.52
    1,2-dichloroethane 825.39
    n-hexanol 124.64
    2-methoxyethanol 311.76
    isobutyl acetate 359.75
    tetrachloromethane 385.73
    n-pentyl acetate 513.06
    transcutol 992.27
    n-heptanol 127.98
    ethylbenzene 90.15
    MIBK 321.78
    2-propoxyethanol 276.64
    tert-butanol 194.53
    MTBE 257.46
    2-butoxyethanol 322.93
    propionic acid 276.87
    o-xylene 145.92
    formic acid 96.09
    diethyl ether 254.06
    m-xylene 131.21
    p-xylene 142.57
    chlorobenzene 328.27
    dimethyl carbonate 139.34
    n-octane 14.92
    formamide 135.51
    cyclopentanone 863.88
    2-pentanone 399.99
    anisole 187.21
    cyclopentyl methyl ether 465.38
    gamma-butyrolactone 977.25
    1-methoxy-2-propanol 289.01
    pyridine 466.34
    3-pentanone 347.54
    furfural 681.97
    n-dodecane 9.37
    diethylene glycol 145.19
    diisopropyl ether 108.36
    tert-amyl alcohol 204.88
    acetylacetone 507.09
    n-hexadecane 11.33
    acetophenone 273.11
    methyl propionate 344.55
    isopentyl acetate 427.41
    trichloroethylene 1377.75
    n-nonanol 116.79
    cyclohexanol 350.77
    benzyl alcohol 164.58
    2-ethylhexanol 133.8
    isooctanol 135.96
    dipropyl ether 235.44
    1,2-dichlorobenzene 358.04
    ethyl lactate 204.1
    propylene carbonate 654.32
    n-methylformamide 205.3
    2-pentanol 146.57
    n-pentane 28.11
    1-propoxy-2-propanol 291.55
    1-methoxy-2-propyl acetate 414.42
    2-(2-methoxypropoxy) propanol 245.38
    mesitylene 97.65
    ε-caprolactone 861.47
    p-cymene 93.8
    epichlorohydrin 969.18
    1,1,1-trichloroethane 907.61
    2-aminoethanol 63.61
    morpholine-4-carbaldehyde 530.34
    sulfolane 1136.94
    2,2,4-trimethylpentane 29.05
    2-methyltetrahydrofuran 656.0
    n-hexyl acetate 430.06
    isooctane 14.36
    2-(2-butoxyethoxy)ethanol 343.95
    sec-butyl acetate 353.59
    tert-butyl acetate 450.02
    decalin 38.33
    glycerin 80.35
    diglyme 849.03
    acrylic acid 204.24
    isopropyl myristate 136.87
    n-butyric acid 589.08
    acetyl acetate 387.17
    di(2-ethylhexyl) phthalate 140.01
    ethyl propionate 370.02
    nitromethane 555.06
    1,2-diethoxyethane 418.08
    benzonitrile 226.1
    trioctyl phosphate 104.6
    1-bromopropane 426.91
    gamma-valerolactone 1089.66
    n-decanol 76.24
    triethyl phosphate 213.36
    4-methyl-2-pentanol 115.15
    propionitrile 180.43
    vinylene carbonate 525.63
    1,1,2-trichlorotrifluoroethane 766.97
    DMS 261.62
    cumene 75.35
    2-octanol 100.92
    2-hexanone 323.8
    octyl acetate 177.31
    limonene 157.59
    1,2-dimethoxyethane 510.55
    ethyl orthosilicate 212.22
    tributyl phosphate 145.13
    diacetone alcohol 374.2
    N,N-dimethylaniline 137.86
    acrylonitrile 174.22
    aniline 206.46
    1,3-propanediol 154.01
    bromobenzene 360.74
    dibromomethane 843.0
    1,1,2,2-tetrachloroethane 1235.53
    2-methyl-cyclohexyl acetate 305.34
    tetrabutyl urea 175.4
    diisobutyl methanol 96.01
    2-phenylethanol 158.17
    styrene 109.64
    dioctyl adipate 231.36
    dimethyl sulfate 288.44
    ethyl butyrate 412.01
    methyl lactate 169.71
    butyl lactate 349.41
    diethyl carbonate 257.0
    propanediol butyl ether 224.26
    triethyl orthoformate 344.15
    p-tert-butyltoluene 85.57
    methyl 4-tert-butylbenzoate 307.51
    morpholine 572.99
    tert-butylamine 121.86
    n-dodecanol 53.23
    dimethoxymethane 278.37
    ethylene carbonate 541.13
    cyrene 255.05
    2-ethoxyethyl acetate 573.7
    2-ethylhexyl acetate 365.2
    1,2,4-trichlorobenzene 439.56
    4-methylpyridine 382.59
    dibutyl ether 221.64
    2,6-dimethyl-4-heptanol 96.01
    DEF 474.09
    dimethyl isosorbide 445.03
    tetrachloroethylene 916.26
    eugenol 246.63
    triacetin 485.08
    span 80 228.2
    1,4-butanediol 64.4
    1,1-dichloroethane 693.79
    2-methyl-1-pentanol 160.1
    methyl formate 173.75
    2-methyl-1-butanol 216.81
    n-decane 21.29
    butyronitrile 227.95
    3,7-dimethyl-1-octanol 130.4
    1-chlorooctane 115.34
    1-chlorotetradecane 34.57
    n-nonane 19.31
    undecane 13.04
    tert-butylcyclohexane 28.76
    cyclooctane 32.13
    cyclopentanol 321.37
    tetrahydropyran 665.21
    tert-amyl methyl ether 247.02
    2,5,8-trioxanonane 441.3
    1-hexene 80.39
    2-isopropoxyethanol 237.3
    2,2,2-trifluoroethanol 234.02
    methyl butyrate 536.15

    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