Decyl mercaptomethylimidazole

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  • Identifiers

    CAS number
    299176-78-6

    Molecular formula
    C14H26N2S

    SMILES
    CCCCCCCCCCC1=NC=CN1CS

    Safety labels

  • Odor profile

    Fragrance
    Meaty 52.6%
    Fatty 50.65%
    Roasted 46.78%
    Savory 33.71%
    Nutty 31.84%
    Waxy 30.7%
    Burnt 30.59%
    Cooked 26.77%
    Oily 26.68%
    Fishy 25.89%

     

    Flavor
    Fatty 26.97%
    Mild 26.33%
    Herbal 25.4%
    Bland 24.87%
    Pepper 22.33%
    Syrup 21.88%
    Slightly waxy 21.7%
    Carrot 21.62%
    Tomato leaf 21.54%
    Waxy 21.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    5.97 (weak acid)

    Molecular weight
    254.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    396°C

    Flash point

    • 152.09 ˚C est.

  • Synonyms

    • Decyl mercaptomethylimidazole
    • Imidazole, 2-decyl-1-mercaptomethyl-
    • UNII-6N3T4J863T
    • 1H-Imidazole-1-methanethiol, 2-decyl-
    • 6N3T4J863T
    • 299176-78-6
    • DTXSID60184032
    • (2-Decyl-1H-imidazol-1-yl)methanethiol
    • Q27265182
    • 299176-78-6

  • Applications

    Decyl mercaptomethylimidazole (CAS 299176-78-6) is a hydrophobic imidazole derivative bearing a mercaptomethyl group and a decyl chain, with potential industrial relevance due to surface interaction and network-forming capabilities. In practical formulations, it may be used as a metal corrosion inhibitor for systems based on water or nonpolar solvents; it is often evaluated as a curing catalyst or promoter for epoxy resins and other thermosetting polymers; it may function as a stabilizer/antioxidant in polymers and coatings; it can serve as an additive in lubricants and metalworking fluids to enhance surface protection and film formation; and it may act as an intermediate or modifying component in adhesive and specialty coating formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1148.42
    methanol 1208.41
    isopropanol 861.45
    water 0.17
    ethyl acetate 1215.95
    n-propanol 978.67
    acetone 3147.39
    n-butanol 911.37
    acetonitrile 981.74
    DMF 1646.55
    toluene 685.78
    isobutanol 815.28
    1,4-dioxane 1810.64
    methyl acetate 1059.79
    THF 2869.06
    2-butanone 1726.88
    n-pentanol 683.92
    sec-butanol 765.84
    n-hexane 113.05
    ethylene glycol 114.86
    NMP 1402.77
    cyclohexane 426.14
    DMSO 2644.29
    n-butyl acetate 1041.54
    n-octanol 206.86
    chloroform 3618.01
    n-propyl acetate 965.47
    acetic acid 909.5
    dichloromethane 3691.61
    cyclohexanone 2807.01
    propylene glycol 206.83
    isopropyl acetate 817.78
    DMAc 1311.27
    2-ethoxyethanol 823.11
    isopentanol 803.97
    n-heptane 86.56
    ethyl formate 705.04
    1,2-dichloroethane 2525.65
    n-hexanol 533.31
    2-methoxyethanol 1161.15
    isobutyl acetate 645.79
    tetrachloromethane 694.15
    n-pentyl acetate 674.53
    transcutol 1938.59
    n-heptanol 239.54
    ethylbenzene 267.1
    MIBK 726.07
    2-propoxyethanol 783.9
    tert-butanol 875.74
    MTBE 1148.81
    2-butoxyethanol 462.74
    propionic acid 622.46
    o-xylene 350.21
    formic acid 198.86
    diethyl ether 1505.79
    m-xylene 362.16
    p-xylene 407.21
    chlorobenzene 998.12
    dimethyl carbonate 287.96
    n-octane 33.6
    formamide 308.13
    cyclopentanone 2459.22
    2-pentanone 1464.27
    anisole 507.61
    cyclopentyl methyl ether 1288.51
    gamma-butyrolactone 2015.7
    1-methoxy-2-propanol 767.69
    pyridine 1807.57
    3-pentanone 1032.87
    furfural 1299.96
    n-dodecane 24.32
    diethylene glycol 444.77
    diisopropyl ether 320.91
    tert-amyl alcohol 664.57
    acetylacetone 1332.63
    n-hexadecane 29.77
    acetophenone 545.82
    methyl propionate 809.46
    isopentyl acetate 810.73
    trichloroethylene 3731.97
    n-nonanol 192.0
    cyclohexanol 1059.4
    benzyl alcohol 480.33
    2-ethylhexanol 329.74
    isooctanol 216.96
    dipropyl ether 584.18
    1,2-dichlorobenzene 808.68
    ethyl lactate 259.17
    propylene carbonate 989.54
    n-methylformamide 617.4
    2-pentanol 591.37
    n-pentane 119.38
    1-propoxy-2-propanol 564.44
    1-methoxy-2-propyl acetate 650.51
    2-(2-methoxypropoxy) propanol 326.97
    mesitylene 237.48
    ε-caprolactone 1582.66
    p-cymene 181.71
    epichlorohydrin 2272.73
    1,1,1-trichloroethane 2113.85
    2-aminoethanol 301.33
    morpholine-4-carbaldehyde 1152.25
    sulfolane 2098.01
    2,2,4-trimethylpentane 65.08
    2-methyltetrahydrofuran 2165.71
    n-hexyl acetate 619.34
    isooctane 41.68
    2-(2-butoxyethoxy)ethanol 517.73
    sec-butyl acetate 565.28
    tert-butyl acetate 748.16
    decalin 106.86
    glycerin 263.42
    diglyme 1133.53
    acrylic acid 477.06
    isopropyl myristate 214.67
    n-butyric acid 1160.25
    acetyl acetate 729.53
    di(2-ethylhexyl) phthalate 203.99
    ethyl propionate 597.47
    nitromethane 1456.75
    1,2-diethoxyethane 1000.83
    benzonitrile 692.35
    trioctyl phosphate 146.2
    1-bromopropane 1490.28
    gamma-valerolactone 2133.54
    n-decanol 136.4
    triethyl phosphate 232.42
    4-methyl-2-pentanol 272.74
    propionitrile 792.19
    vinylene carbonate 784.26
    1,1,2-trichlorotrifluoroethane 1264.51
    DMS 441.18
    cumene 176.45
    2-octanol 176.01
    2-hexanone 1052.57
    octyl acetate 272.47
    limonene 323.69
    1,2-dimethoxyethane 1613.42
    ethyl orthosilicate 234.6
    tributyl phosphate 196.32
    diacetone alcohol 594.35
    N,N-dimethylaniline 312.33
    acrylonitrile 763.17
    aniline 720.19
    1,3-propanediol 518.27
    bromobenzene 1174.82
    dibromomethane 2496.33
    1,1,2,2-tetrachloroethane 2853.91
    2-methyl-cyclohexyl acetate 439.28
    tetrabutyl urea 258.81
    diisobutyl methanol 183.4
    2-phenylethanol 403.65
    styrene 418.5
    dioctyl adipate 315.88
    dimethyl sulfate 496.62
    ethyl butyrate 621.89
    methyl lactate 280.13
    butyl lactate 385.42
    diethyl carbonate 353.63
    propanediol butyl ether 356.64
    triethyl orthoformate 393.99
    p-tert-butyltoluene 163.97
    methyl 4-tert-butylbenzoate 351.75
    morpholine 1983.73
    tert-butylamine 573.85
    n-dodecanol 107.67
    dimethoxymethane 1018.41
    ethylene carbonate 791.12
    cyrene 396.96
    2-ethoxyethyl acetate 842.17
    2-ethylhexyl acetate 646.66
    1,2,4-trichlorobenzene 916.37
    4-methylpyridine 1505.81
    dibutyl ether 456.01
    2,6-dimethyl-4-heptanol 183.4
    DEF 1128.52
    dimethyl isosorbide 603.72
    tetrachloroethylene 2010.91
    eugenol 334.85
    triacetin 513.82
    span 80 333.03
    1,4-butanediol 264.05
    1,1-dichloroethane 2330.7
    2-methyl-1-pentanol 555.44
    methyl formate 511.19
    2-methyl-1-butanol 754.79
    n-decane 45.05
    butyronitrile 983.77
    3,7-dimethyl-1-octanol 221.6
    1-chlorooctane 220.98
    1-chlorotetradecane 81.61
    n-nonane 43.92
    undecane 31.41
    tert-butylcyclohexane 79.63
    cyclooctane 82.31
    cyclopentanol 967.04
    tetrahydropyran 2664.08
    tert-amyl methyl ether 646.26
    2,5,8-trioxanonane 627.51
    1-hexene 473.68
    2-isopropoxyethanol 579.38
    2,2,2-trifluoroethanol 300.86
    methyl butyrate 1000.92

    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