4,5-Dimethyl-2-propylthiazole

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  • Identifiers

    CAS number
    41981-72-0

    Molecular formula
    C8H13NS

    SMILES
    CCCC1=NC(=C(S1)C)C

  • Odor profile

    Fragrance
    Green 74.64%
    Nutty 69.46%
    Roasted 65.43%
    Vegetable 55.52%
    Fruity 53.56%
    Meaty 53.36%
    Earthy 49.75%
    Burnt 42.99%
    Cocoa 40.27%
    Tropical 37.89%

     

    Flavor
    Nutty 60.95%
    Roasted 60.86%
    Green 51.35%
    Earthy 51.29%
    Vegetable 46.32%
    Burnt 43.13%
    Meaty 40.22%
    Potato 36.57%
    Hazelnut 36.41%
    Coffee 34.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.34 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 62.88 ˚C est.

  • Synonyms

    • 4,5-Dimethyl-2-propylthiazole
    • 41981-72-0
    • UNII-H1JNO61WBQ
    • H1JNO61WBQ
    • Thiazole, 4,5-dimethyl-2-propyl-
    • EINECS 255-604-9
    • 4,5-Dimethyl-2-propyl-1,3-thiazole
    • 2-Propyl-4,5-dimethyI-thiazole
    • 4,5-Dimethyl-2-propyl-Thiazole
    • DTXSID40194795
    • SCHEMBL114032
    • 4,5-dimethyl-2-propyl thiazole
    • 2-n-propyl-4,5-dimethylthiazole
    • DTXCID80117286
    • 4,5-Dimethyl-2-propyl-1,3-thiazole #
    • NS00022168
    • Q27279510
    • 255-604-9

  • Applications

    4,5-Dimethyl-2-propylthiazole (CAS 41981-72-0) is a thiazole-based compound with a distinctive odor that is primarily used as an aroma ingredient. In perfumery and flavor applications, it is employed as a fragrance/aroma component contributing to characteristic notes. In cosmetics/personal care, it may serve as a fragrant ingredient within formulations. It can be used in household products such as air fresheners and cleaning products to impart or enhance scent. From an industrial manufacturing standpoint, it may act as an intermediate or building block in the synthesis of other thiazole-containing compounds for specialty chemicals and potentially in polymer and plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 357.09
    methanol 320.6
    isopropanol 349.49
    water 0.98
    ethyl acetate 442.01
    n-propanol 378.8
    acetone 625.98
    n-butanol 422.99
    acetonitrile 384.8
    DMF 756.76
    toluene 671.78
    isobutanol 373.23
    1,4-dioxane 1024.13
    methyl acetate 465.79
    THF 1387.1
    2-butanone 629.26
    n-pentanol 371.14
    sec-butanol 419.44
    n-hexane 165.27
    ethylene glycol 67.55
    NMP 991.7
    cyclohexane 317.31
    DMSO 608.91
    n-butyl acetate 702.02
    n-octanol 395.48
    chloroform 2120.1
    n-propyl acetate 380.22
    acetic acid 284.74
    dichloromethane 1703.53
    cyclohexanone 1177.87
    propylene glycol 123.67
    isopropyl acetate 330.59
    DMAc 709.08
    2-ethoxyethanol 354.49
    isopentanol 421.72
    n-heptane 210.8
    ethyl formate 335.07
    1,2-dichloroethane 828.02
    n-hexanol 602.42
    2-methoxyethanol 442.01
    isobutyl acetate 321.88
    tetrachloromethane 556.03
    n-pentyl acetate 482.47
    transcutol 832.58
    n-heptanol 334.73
    ethylbenzene 393.94
    MIBK 385.97
    2-propoxyethanol 600.34
    tert-butanol 466.99
    MTBE 560.24
    2-butoxyethanol 396.45
    propionic acid 269.3
    o-xylene 433.08
    formic acid 57.13
    diethyl ether 501.79
    m-xylene 447.66
    p-xylene 572.93
    chlorobenzene 822.18
    dimethyl carbonate 199.57
    n-octane 105.77
    formamide 89.62
    cyclopentanone 1156.73
    2-pentanone 525.81
    anisole 553.74
    cyclopentyl methyl ether 728.22
    gamma-butyrolactone 996.3
    1-methoxy-2-propanol 400.32
    pyridine 925.13
    3-pentanone 456.81
    furfural 859.23
    n-dodecane 93.57
    diethylene glycol 324.42
    diisopropyl ether 233.29
    tert-amyl alcohol 459.5
    acetylacetone 536.78
    n-hexadecane 107.42
    acetophenone 508.54
    methyl propionate 358.08
    isopentyl acetate 591.4
    trichloroethylene 1556.75
    n-nonanol 341.58
    cyclohexanol 603.83
    benzyl alcohol 424.41
    2-ethylhexanol 456.24
    isooctanol 289.02
    dipropyl ether 469.99
    1,2-dichlorobenzene 724.83
    ethyl lactate 187.75
    propylene carbonate 625.98
    n-methylformamide 253.34
    2-pentanol 331.48
    n-pentane 146.46
    1-propoxy-2-propanol 490.42
    1-methoxy-2-propyl acetate 494.71
    2-(2-methoxypropoxy) propanol 406.26
    mesitylene 302.68
    ε-caprolactone 850.9
    p-cymene 333.38
    epichlorohydrin 990.69
    1,1,1-trichloroethane 1082.27
    2-aminoethanol 147.73
    morpholine-4-carbaldehyde 879.26
    sulfolane 1094.37
    2,2,4-trimethylpentane 109.37
    2-methyltetrahydrofuran 1091.76
    n-hexyl acetate 662.6
    isooctane 81.13
    2-(2-butoxyethoxy)ethanol 492.61
    sec-butyl acetate 293.55
    tert-butyl acetate 408.51
    decalin 172.23
    glycerin 158.3
    diglyme 804.48
    acrylic acid 222.23
    isopropyl myristate 336.74
    n-butyric acid 429.01
    acetyl acetate 320.72
    di(2-ethylhexyl) phthalate 300.12
    ethyl propionate 315.63
    nitromethane 409.06
    1,2-diethoxyethane 537.97
    benzonitrile 729.55
    trioctyl phosphate 227.62
    1-bromopropane 681.61
    gamma-valerolactone 1087.49
    n-decanol 268.06
    triethyl phosphate 237.16
    4-methyl-2-pentanol 234.0
    propionitrile 419.95
    vinylene carbonate 592.92
    1,1,2-trichlorotrifluoroethane 563.12
    DMS 420.47
    cumene 285.55
    2-octanol 305.07
    2-hexanone 475.2
    octyl acetate 403.47
    limonene 486.91
    1,2-dimethoxyethane 740.96
    ethyl orthosilicate 237.35
    tributyl phosphate 264.71
    diacetone alcohol 383.52
    N,N-dimethylaniline 437.67
    acrylonitrile 434.84
    aniline 505.83
    1,3-propanediol 250.32
    bromobenzene 966.94
    dibromomethane 1209.93
    1,1,2,2-tetrachloroethane 1259.34
    2-methyl-cyclohexyl acetate 463.62
    tetrabutyl urea 354.08
    diisobutyl methanol 248.92
    2-phenylethanol 512.78
    styrene 477.85
    dioctyl adipate 385.52
    dimethyl sulfate 304.67
    ethyl butyrate 445.71
    methyl lactate 190.37
    butyl lactate 320.92
    diethyl carbonate 317.63
    propanediol butyl ether 358.5
    triethyl orthoformate 337.14
    p-tert-butyltoluene 325.66
    methyl 4-tert-butylbenzoate 463.18
    morpholine 911.84
    tert-butylamine 374.56
    n-dodecanol 225.19
    dimethoxymethane 489.46
    ethylene carbonate 504.51
    cyrene 441.18
    2-ethoxyethyl acetate 489.0
    2-ethylhexyl acetate 549.56
    1,2,4-trichlorobenzene 830.43
    4-methylpyridine 1088.41
    dibutyl ether 484.67
    2,6-dimethyl-4-heptanol 248.92
    DEF 552.57
    dimethyl isosorbide 736.48
    tetrachloroethylene 824.62
    eugenol 440.39
    triacetin 475.76
    span 80 453.76
    1,4-butanediol 150.65
    1,1-dichloroethane 967.11
    2-methyl-1-pentanol 397.87
    methyl formate 234.06
    2-methyl-1-butanol 412.9
    n-decane 139.29
    butyronitrile 548.31
    3,7-dimethyl-1-octanol 375.62
    1-chlorooctane 382.27
    1-chlorotetradecane 190.96
    n-nonane 144.08
    undecane 109.1
    tert-butylcyclohexane 161.07
    cyclooctane 135.36
    cyclopentanol 579.93
    tetrahydropyran 1050.51
    tert-amyl methyl ether 460.26
    2,5,8-trioxanonane 624.14
    1-hexene 413.46
    2-isopropoxyethanol 303.24
    2,2,2-trifluoroethanol 125.19
    methyl butyrate 435.87

    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