2-Heptyl-4,5-dimethylthiazole

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  • Identifiers

    CAS number
    87262-50-8

    Molecular formula
    C12H21NS

    SMILES
    CCCCCCCC1=NC(=C(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 58.97%
    Roasted 56.98%
    Meaty 54.95%
    Nutty 54.34%
    Vegetable 46.88%
    Fatty 44.08%
    Earthy 38.4%
    Burnt 35.45%
    Savory 31.87%
    Fruity 30.32%

     

    Flavor
    Green 47.88%
    Earthy 40.04%
    Roasted 37.05%
    Pepper 34.36%
    Herbal 33.92%
    Fatty 31.82%
    Nutty 30.62%
    Musty 28.54%
    Burnt 27.46%
    Vegetable 27.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.54 (neutral)

    Molecular weight
    211.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 95.91 ˚C est.

  • Synonyms

    • 2-Heptyl-4,5-dimethylthiazole
    • 87262-50-8
    • RefChem:87261
    • PSZGSWWQPRJONL-UHFFFAOYSA-N
    • SCHEMBL19304423
    • DTXSID501308060
    • 2-Heptyl-4,5-dimethyl-1,3-thiazole
    • 87262-50-8

  • Applications

    2-Heptyl-4,5-dimethylthiazole (CAS 87262-50-8) may be used primarily as an odorant in perfumery and cosmetics, contributing woody/musky notes to formulations. It is also evaluated for aroma/flavor applications in food processing under regulatory allowances. In industry, it can serve as an intermediate in the synthesis of other thiazole-based materials for specialty chemicals and coatings. It may act as a fragrance additive for household products such as cleaners and air fresheners, depending on formulation needs and regulatory constraints. It can also function as a processing aid or odorant in polymer and plastics formulations, subject to local rules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1370.84
    methanol 841.76
    isopropanol 1300.46
    water 0.06
    ethyl acetate 3472.02
    n-propanol 1369.58
    acetone 4531.35
    n-butanol 1515.42
    acetonitrile 1726.22
    DMF 3214.72
    toluene 2321.15
    isobutanol 1292.13
    1,4-dioxane 5044.62
    methyl acetate 2437.67
    THF 5915.3
    2-butanone 3709.89
    n-pentanol 1167.48
    sec-butanol 1418.97
    n-hexane 561.67
    ethylene glycol 81.54
    NMP 2318.51
    cyclohexane 1174.67
    DMSO 2300.87
    n-butyl acetate 4393.18
    n-octanol 697.7
    chloroform 5563.58
    n-propyl acetate 2387.32
    acetic acid 837.79
    dichloromethane 5046.65
    cyclohexanone 5760.5
    propylene glycol 215.95
    isopropyl acetate 2511.55
    DMAc 2713.1
    2-ethoxyethanol 1346.4
    isopentanol 1618.53
    n-heptane 406.41
    ethyl formate 1280.66
    1,2-dichloroethane 3852.88
    n-hexanol 1808.96
    2-methoxyethanol 1686.21
    isobutyl acetate 1720.29
    tetrachloromethane 1235.71
    n-pentyl acetate 1941.46
    transcutol 5000.29
    n-heptanol 693.33
    ethylbenzene 947.23
    MIBK 1963.48
    2-propoxyethanol 2343.42
    tert-butanol 1789.59
    MTBE 4129.45
    2-butoxyethanol 1122.83
    propionic acid 843.59
    o-xylene 1120.47
    formic acid 100.32
    diethyl ether 4542.62
    m-xylene 1275.38
    p-xylene 1324.38
    chlorobenzene 2363.94
    dimethyl carbonate 691.36
    n-octane 165.29
    formamide 208.32
    cyclopentanone 4332.4
    2-pentanone 3572.7
    anisole 1610.44
    cyclopentyl methyl ether 3334.93
    gamma-butyrolactone 3234.22
    1-methoxy-2-propanol 1482.0
    pyridine 3677.2
    3-pentanone 2601.39
    furfural 2355.01
    n-dodecane 110.44
    diethylene glycol 819.02
    diisopropyl ether 1291.12
    tert-amyl alcohol 1591.68
    acetylacetone 3194.16
    n-hexadecane 135.7
    acetophenone 1372.81
    methyl propionate 2049.23
    isopentyl acetate 3473.49
    trichloroethylene 5736.04
    n-nonanol 624.5
    cyclohexanol 1998.86
    benzyl alcohol 1029.58
    2-ethylhexanol 1268.92
    isooctanol 625.88
    dipropyl ether 2415.13
    1,2-dichlorobenzene 1852.54
    ethyl lactate 494.98
    propylene carbonate 1963.91
    n-methylformamide 787.46
    2-pentanol 1279.12
    n-pentane 411.22
    1-propoxy-2-propanol 2003.55
    1-methoxy-2-propyl acetate 2679.52
    2-(2-methoxypropoxy) propanol 1031.84
    mesitylene 814.14
    ε-caprolactone 3718.2
    p-cymene 621.02
    epichlorohydrin 4261.76
    1,1,1-trichloroethane 4098.2
    2-aminoethanol 274.24
    morpholine-4-carbaldehyde 2867.23
    sulfolane 3033.79
    2,2,4-trimethylpentane 229.98
    2-methyltetrahydrofuran 4965.67
    n-hexyl acetate 2133.09
    isooctane 190.59
    2-(2-butoxyethoxy)ethanol 1458.86
    sec-butyl acetate 1695.58
    tert-butyl acetate 2615.85
    decalin 404.83
    glycerin 277.76
    diglyme 2776.72
    acrylic acid 524.54
    isopropyl myristate 786.96
    n-butyric acid 1967.68
    acetyl acetate 1780.41
    di(2-ethylhexyl) phthalate 587.95
    ethyl propionate 1618.6
    nitromethane 1706.58
    1,2-diethoxyethane 3988.51
    benzonitrile 1750.71
    trioctyl phosphate 426.92
    1-bromopropane 2909.23
    gamma-valerolactone 4311.99
    n-decanol 462.68
    triethyl phosphate 629.39
    4-methyl-2-pentanol 779.8
    propionitrile 1696.37
    vinylene carbonate 1573.45
    1,1,2-trichlorotrifluoroethane 1821.31
    DMS 1324.29
    cumene 585.69
    2-octanol 585.56
    2-hexanone 2542.21
    octyl acetate 912.5
    limonene 1171.88
    1,2-dimethoxyethane 3495.36
    ethyl orthosilicate 696.66
    tributyl phosphate 619.31
    diacetone alcohol 1540.0
    N,N-dimethylaniline 964.31
    acrylonitrile 1370.33
    aniline 1677.58
    1,3-propanediol 654.64
    bromobenzene 2897.94
    dibromomethane 3674.29
    1,1,2,2-tetrachloroethane 4842.97
    2-methyl-cyclohexyl acetate 1379.95
    tetrabutyl urea 772.13
    diisobutyl methanol 645.23
    2-phenylethanol 1281.77
    styrene 1352.68
    dioctyl adipate 899.97
    dimethyl sulfate 910.19
    ethyl butyrate 2143.33
    methyl lactate 502.52
    butyl lactate 944.0
    diethyl carbonate 1083.45
    propanediol butyl ether 820.05
    triethyl orthoformate 1318.16
    p-tert-butyltoluene 608.93
    methyl 4-tert-butylbenzoate 974.34
    morpholine 4907.53
    tert-butylamine 1302.01
    n-dodecanol 362.16
    dimethoxymethane 2327.26
    ethylene carbonate 1602.86
    cyrene 888.86
    2-ethoxyethyl acetate 2334.11
    2-ethylhexyl acetate 2909.93
    1,2,4-trichlorobenzene 1986.92
    4-methylpyridine 4321.99
    dibutyl ether 1877.46
    2,6-dimethyl-4-heptanol 645.23
    DEF 3091.78
    dimethyl isosorbide 1914.59
    tetrachloroethylene 2992.74
    eugenol 920.75
    triacetin 1349.89
    span 80 1005.1
    1,4-butanediol 305.97
    1,1-dichloroethane 4222.93
    2-methyl-1-pentanol 1208.28
    methyl formate 633.47
    2-methyl-1-butanol 1469.9
    n-decane 209.59
    butyronitrile 2446.19
    3,7-dimethyl-1-octanol 799.58
    1-chlorooctane 818.74
    1-chlorotetradecane 308.97
    n-nonane 217.06
    undecane 144.32
    tert-butylcyclohexane 349.04
    cyclooctane 344.92
    cyclopentanol 1424.26
    tetrahydropyran 6290.06
    tert-amyl methyl ether 2315.41
    2,5,8-trioxanonane 1698.07
    1-hexene 1815.22
    2-isopropoxyethanol 1130.16
    2,2,2-trifluoroethanol 258.11
    methyl butyrate 2394.34

    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