2,5-Dipropyl-4-methylthiazole

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  • Identifiers

    CAS number
    87116-71-0

    Molecular formula
    C10H17NS

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

    Safety labels

  • Odor profile

    Fragrance
    Green 80.79%
    Fruity 69.36%
    Vegetable 54.53%
    Nutty 52.21%
    Roasted 50.6%
    Tropical 41.8%
    Earthy 41.28%
    Meaty 40.96%
    Sulfurous 35.66%
    Burnt 32.14%

     

    Flavor
    Green 69.81%
    Earthy 50.64%
    Roasted 48.16%
    Nutty 46.03%
    Vegetable 42.55%
    Pepper 36.81%
    Burnt 34.89%
    Meaty 34.75%
    Raw 31.83%
    Fatty 28.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.6 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 79.41 ˚C est.

  • Synonyms

    • 2,5-DIPROPYL-4-METHYLTHIAZOLE
    • 87116-71-0
    • 4-METHYL-2,5-DIPROPYL-1,3-THIAZOLE
    • P7X6E7N2AJ
    • 4-Methyl-2,5-dipropylthiazole
    • DTXSID40650705
    • CHEBI:168798
    • Thiazole, 4-methyl-2,5-dipropyl-
    • AKOS006313219
    • 87116-71-0

  • Applications

    2,5-Dipropyl-4-methylthiazole (CAS 87116-71-0) is primarily used as an odorant/fragrance ingredient and as a synthetic intermediate in fragrance and flavor chemistry; it may also find applications in cosmetics/personal care formulations as a fragrance component; in household products and cleaners, it serves as a scent additive; in the industrial sector, it can act as an intermediate for specialty chemicals and aroma-related compounds; its use is typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 631.41
    methanol 532.29
    isopropanol 655.84
    water 0.18
    ethyl acetate 1089.59
    n-propanol 682.14
    acetone 1813.28
    n-butanol 810.91
    acetonitrile 755.87
    DMF 2404.65
    toluene 1478.78
    isobutanol 718.79
    1,4-dioxane 2240.16
    methyl acetate 1010.35
    THF 3736.19
    2-butanone 1432.74
    n-pentanol 669.79
    sec-butanol 757.77
    n-hexane 413.26
    ethylene glycol 96.76
    NMP 2547.61
    cyclohexane 888.92
    DMSO 1551.26
    n-butyl acetate 1648.27
    n-octanol 667.79
    chloroform 3840.82
    n-propyl acetate 862.83
    acetic acid 544.97
    dichloromethane 3214.16
    cyclohexanone 3331.21
    propylene glycol 191.65
    isopropyl acetate 816.95
    DMAc 1564.87
    2-ethoxyethanol 559.91
    isopentanol 850.15
    n-heptane 389.53
    ethyl formate 688.71
    1,2-dichloroethane 2147.8
    n-hexanol 1209.75
    2-methoxyethanol 842.41
    isobutyl acetate 734.89
    tetrachloromethane 863.05
    n-pentyl acetate 1009.43
    transcutol 1385.28
    n-heptanol 555.79
    ethylbenzene 741.69
    MIBK 882.52
    2-propoxyethanol 1130.64
    tert-butanol 847.01
    MTBE 1256.83
    2-butoxyethanol 647.76
    propionic acid 519.72
    o-xylene 769.81
    formic acid 81.61
    diethyl ether 1345.95
    m-xylene 894.83
    p-xylene 1004.77
    chlorobenzene 1843.51
    dimethyl carbonate 473.26
    n-octane 193.74
    formamide 140.89
    cyclopentanone 3155.38
    2-pentanone 1364.01
    anisole 984.45
    cyclopentyl methyl ether 1901.57
    gamma-butyrolactone 2611.32
    1-methoxy-2-propanol 758.81
    pyridine 2166.76
    3-pentanone 1096.56
    furfural 1821.69
    n-dodecane 143.89
    diethylene glycol 517.96
    diisopropyl ether 532.81
    tert-amyl alcohol 839.27
    acetylacetone 1411.67
    n-hexadecane 171.02
    acetophenone 917.9
    methyl propionate 900.86
    isopentyl acetate 1420.55
    trichloroethylene 3762.99
    n-nonanol 558.55
    cyclohexanol 1334.33
    benzyl alcohol 727.97
    2-ethylhexanol 860.58
    isooctanol 484.58
    dipropyl ether 1002.76
    1,2-dichlorobenzene 1430.6
    ethyl lactate 323.94
    propylene carbonate 1529.95
    n-methylformamide 591.43
    2-pentanol 666.65
    n-pentane 338.73
    1-propoxy-2-propanol 935.31
    1-methoxy-2-propyl acetate 1104.28
    2-(2-methoxypropoxy) propanol 625.68
    mesitylene 610.87
    ε-caprolactone 2006.87
    p-cymene 526.88
    epichlorohydrin 2484.5
    1,1,1-trichloroethane 2449.22
    2-aminoethanol 213.3
    morpholine-4-carbaldehyde 1927.94
    sulfolane 2822.97
    2,2,4-trimethylpentane 188.43
    2-methyltetrahydrofuran 2660.71
    n-hexyl acetate 1383.91
    isooctane 152.34
    2-(2-butoxyethoxy)ethanol 779.59
    sec-butyl acetate 632.49
    tert-butyl acetate 947.9
    decalin 357.38
    glycerin 241.76
    diglyme 1354.61
    acrylic acid 429.56
    isopropyl myristate 595.0
    n-butyric acid 930.76
    acetyl acetate 745.38
    di(2-ethylhexyl) phthalate 487.12
    ethyl propionate 688.15
    nitromethane 898.84
    1,2-diethoxyethane 1095.85
    benzonitrile 1296.04
    trioctyl phosphate 388.65
    1-bromopropane 1615.49
    gamma-valerolactone 2709.79
    n-decanol 409.85
    triethyl phosphate 421.8
    4-methyl-2-pentanol 447.06
    propionitrile 876.89
    vinylene carbonate 1295.75
    1,1,2-trichlorotrifluoroethane 1120.05
    DMS 879.12
    cumene 479.51
    2-octanol 536.52
    2-hexanone 1058.75
    octyl acetate 700.72
    limonene 886.29
    1,2-dimethoxyethane 1467.3
    ethyl orthosilicate 427.58
    tributyl phosphate 475.27
    diacetone alcohol 789.24
    N,N-dimethylaniline 738.25
    acrylonitrile 869.8
    aniline 1026.73
    1,3-propanediol 401.84
    bromobenzene 2215.84
    dibromomethane 2423.65
    1,1,2,2-tetrachloroethane 3030.36
    2-methyl-cyclohexyl acetate 887.83
    tetrabutyl urea 647.12
    diisobutyl methanol 453.67
    2-phenylethanol 892.05
    styrene 988.57
    dioctyl adipate 697.55
    dimethyl sulfate 717.55
    ethyl butyrate 898.57
    methyl lactate 352.7
    butyl lactate 620.75
    diethyl carbonate 591.0
    propanediol butyl ether 578.27
    triethyl orthoformate 650.84
    p-tert-butyltoluene 526.17
    methyl 4-tert-butylbenzoate 778.01
    morpholine 2138.28
    tert-butylamine 650.94
    n-dodecanol 334.4
    dimethoxymethane 1284.84
    ethylene carbonate 1183.5
    cyrene 734.82
    2-ethoxyethyl acetate 1005.06
    2-ethylhexyl acetate 1244.51
    1,2,4-trichlorobenzene 1526.3
    4-methylpyridine 2559.68
    dibutyl ether 1012.82
    2,6-dimethyl-4-heptanol 453.67
    DEF 1454.37
    dimethyl isosorbide 1300.59
    tetrachloroethylene 1942.94
    eugenol 739.13
    triacetin 855.71
    span 80 710.61
    1,4-butanediol 218.77
    1,1-dichloroethane 2266.67
    2-methyl-1-pentanol 711.37
    methyl formate 562.67
    2-methyl-1-butanol 820.6
    n-decane 242.73
    butyronitrile 1187.55
    3,7-dimethyl-1-octanol 615.41
    1-chlorooctane 730.94
    1-chlorotetradecane 301.71
    n-nonane 264.82
    undecane 179.4
    tert-butylcyclohexane 297.39
    cyclooctane 329.4
    cyclopentanol 1215.58
    tetrahydropyran 2842.16
    tert-amyl methyl ether 976.31
    2,5,8-trioxanonane 980.71
    1-hexene 990.91
    2-isopropoxyethanol 498.44
    2,2,2-trifluoroethanol 190.94
    methyl butyrate 1009.87

    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