2,4-Diethyl-5-propylthiazole

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  • Identifiers

    CAS number
    87116-70-9

    Molecular formula
    C10H17NS

    SMILES
    CCCC1=C(N=C(S1)CC)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 87.86%
    Fruity 66.61%
    Vegetable 55.3%
    Nutty 53.13%
    Earthy 46.06%
    Roasted 45.87%
    Meaty 37.63%
    Tropical 36.16%
    Sulfurous 33.24%
    Burnt 29.07%

     

    Flavor
    Green 87.51%
    Earthy 51.13%
    Nutty 49.1%
    Vegetable 46.66%
    Pepper 41.18%
    Fruity 41.16%
    Raw 36.42%
    Herbal 34.07%
    Fatty 33.24%
    Roasted 33.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.8 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 76.31 ˚C est.

  • Synonyms

    • 2,4-Diethyl-5-propylthiazole
    • 2,4-diethyl-5-propyl-1,3-thiazole
    • 87116-70-9
    • RefChem:82409
    • DTXSID501309537
    • AKOS006371003
    • 87116-70-9

  • Applications

    2,4-Diethyl-5-propylthiazole, CAS 87116-70-9, is primarily viewed as a fragrance ingredient and may be used in perfumery and cosmetic/personal care formulations as a scent component. It may also be evaluated for aroma applications in flavor industries or in household products (air fresheners, cleaners) depending on formulation limits. In industrial manufacturing, it often serves as an organic intermediate for the synthesis of more complex thiazole compounds and may function as a precursor or additive in processes for functional materials, coatings, or inks with odor characteristics. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 556.96
    methanol 492.93
    isopropanol 538.59
    water 0.25
    ethyl acetate 1019.82
    n-propanol 591.25
    acetone 1713.14
    n-butanol 663.8
    acetonitrile 693.74
    DMF 2507.82
    toluene 1474.94
    isobutanol 578.08
    1,4-dioxane 1841.17
    methyl acetate 1000.41
    THF 3113.11
    2-butanone 1460.52
    n-pentanol 615.45
    sec-butanol 645.78
    n-hexane 292.18
    ethylene glycol 99.41
    NMP 2612.65
    cyclohexane 566.79
    DMSO 1556.13
    n-butyl acetate 1671.12
    n-octanol 633.41
    chloroform 4219.2
    n-propyl acetate 986.01
    acetic acid 486.1
    dichloromethane 3846.57
    cyclohexanone 2987.28
    propylene glycol 169.83
    isopropyl acetate 782.24
    DMAc 1693.36
    2-ethoxyethanol 582.76
    isopentanol 691.59
    n-heptane 328.97
    ethyl formate 730.72
    1,2-dichloroethane 2303.29
    n-hexanol 958.83
    2-methoxyethanol 814.07
    isobutyl acetate 814.97
    tetrachloromethane 939.49
    n-pentyl acetate 1188.24
    transcutol 1274.02
    n-heptanol 533.13
    ethylbenzene 844.2
    MIBK 850.44
    2-propoxyethanol 1029.91
    tert-butanol 659.86
    MTBE 1015.57
    2-butoxyethanol 671.82
    propionic acid 509.87
    o-xylene 828.4
    formic acid 83.02
    diethyl ether 1044.2
    m-xylene 935.19
    p-xylene 1167.95
    chlorobenzene 2065.85
    dimethyl carbonate 529.62
    n-octane 183.88
    formamide 157.75
    cyclopentanone 2958.32
    2-pentanone 1252.69
    anisole 1150.21
    cyclopentyl methyl ether 1469.74
    gamma-butyrolactone 2549.59
    1-methoxy-2-propanol 691.97
    pyridine 2365.86
    3-pentanone 1033.03
    furfural 2121.9
    n-dodecane 143.36
    diethylene glycol 486.64
    diisopropyl ether 440.5
    tert-amyl alcohol 702.98
    acetylacetone 1407.22
    n-hexadecane 167.27
    acetophenone 1159.4
    methyl propionate 875.43
    isopentyl acetate 1414.99
    trichloroethylene 4567.84
    n-nonanol 542.48
    cyclohexanol 981.96
    benzyl alcohol 846.03
    2-ethylhexanol 765.56
    isooctanol 483.96
    dipropyl ether 929.6
    1,2-dichlorobenzene 1780.61
    ethyl lactate 370.27
    propylene carbonate 1567.43
    n-methylformamide 677.28
    2-pentanol 523.63
    n-pentane 243.25
    1-propoxy-2-propanol 837.86
    1-methoxy-2-propyl acetate 1126.14
    2-(2-methoxypropoxy) propanol 667.48
    mesitylene 662.0
    ε-caprolactone 1945.76
    p-cymene 633.49
    epichlorohydrin 2554.15
    1,1,1-trichloroethane 2582.24
    2-aminoethanol 213.79
    morpholine-4-carbaldehyde 2028.04
    sulfolane 2858.06
    2,2,4-trimethylpentane 165.61
    2-methyltetrahydrofuran 2151.66
    n-hexyl acetate 1429.14
    isooctane 134.55
    2-(2-butoxyethoxy)ethanol 763.71
    sec-butyl acetate 700.13
    tert-butyl acetate 884.08
    decalin 323.72
    glycerin 221.44
    diglyme 1372.93
    acrylic acid 432.35
    isopropyl myristate 624.44
    n-butyric acid 856.85
    acetyl acetate 738.05
    di(2-ethylhexyl) phthalate 558.96
    ethyl propionate 790.37
    nitromethane 981.88
    1,2-diethoxyethane 1124.79
    benzonitrile 1538.6
    trioctyl phosphate 437.01
    1-bromopropane 1579.34
    gamma-valerolactone 2858.24
    n-decanol 410.57
    triethyl phosphate 495.26
    4-methyl-2-pentanol 370.15
    propionitrile 820.72
    vinylene carbonate 1492.83
    1,1,2-trichlorotrifluoroethane 1255.59
    DMS 1035.21
    cumene 570.14
    2-octanol 527.6
    2-hexanone 1123.95
    octyl acetate 753.42
    limonene 918.39
    1,2-dimethoxyethane 1506.27
    ethyl orthosilicate 486.1
    tributyl phosphate 520.69
    diacetone alcohol 703.69
    N,N-dimethylaniline 897.59
    acrylonitrile 963.67
    aniline 1001.18
    1,3-propanediol 368.9
    bromobenzene 2601.23
    dibromomethane 2680.18
    1,1,2,2-tetrachloroethane 3322.95
    2-methyl-cyclohexyl acetate 978.0
    tetrabutyl urea 746.95
    diisobutyl methanol 427.14
    2-phenylethanol 962.77
    styrene 1155.11
    dioctyl adipate 810.49
    dimethyl sulfate 800.77
    ethyl butyrate 1024.59
    methyl lactate 376.15
    butyl lactate 673.92
    diethyl carbonate 689.11
    propanediol butyl ether 581.37
    triethyl orthoformate 710.74
    p-tert-butyltoluene 602.69
    methyl 4-tert-butylbenzoate 922.57
    morpholine 1718.66
    tert-butylamine 516.62
    n-dodecanol 335.16
    dimethoxymethane 1302.66
    ethylene carbonate 1268.13
    cyrene 782.38
    2-ethoxyethyl acetate 1153.25
    2-ethylhexyl acetate 1271.78
    1,2,4-trichlorobenzene 1856.13
    4-methylpyridine 2680.7
    dibutyl ether 959.47
    2,6-dimethyl-4-heptanol 427.14
    DEF 1385.02
    dimethyl isosorbide 1369.31
    tetrachloroethylene 2264.23
    eugenol 892.79
    triacetin 981.97
    span 80 723.73
    1,4-butanediol 225.77
    1,1-dichloroethane 2266.86
    2-methyl-1-pentanol 655.22
    methyl formate 646.27
    2-methyl-1-butanol 681.96
    n-decane 229.29
    butyronitrile 1092.57
    3,7-dimethyl-1-octanol 584.2
    1-chlorooctane 723.47
    1-chlorotetradecane 315.49
    n-nonane 238.52
    undecane 173.1
    tert-butylcyclohexane 271.18
    cyclooctane 244.68
    cyclopentanol 972.69
    tetrahydropyran 2055.85
    tert-amyl methyl ether 829.52
    2,5,8-trioxanonane 1017.21
    1-hexene 786.05
    2-isopropoxyethanol 507.32
    2,2,2-trifluoroethanol 189.14
    methyl butyrate 1148.8

    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