2-Butylthiazole

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  • Identifiers

    CAS number
    37645-61-7

    Molecular formula
    C7H11NS

    SMILES
    CCCCC1=NC=CS1

  • Odor profile

    Fragrance
    Green 95.16%
    Vegetable 77.3%
    Herbal 64.05%
    Nutty 52.66%
    Earthy 44.77%
    Leafy 41.76%
    Fatty 39.02%
    Tomato 36.1%
    Meaty 34.76%
    Musty 30.96%

     

    Flavor
    Green 92.19%
    Nutty 54.01%
    Vegetable 50.85%
    Earthy 45.07%
    Fatty 44.68%
    Pepper 43.07%
    Herbal 38.59%
    Raw 34.59%
    Fruity 33.52%
    Metallic 31.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.53 (weak acid)

    Molecular weight
    141.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 71.24 ˚C est.

  • Synonyms

    • 2-Butylthiazole
    • 2-butyl-1,3-thiazole
    • 37645-61-7
    • S0CYI2OC9V
    • UNII-S0CYI2OC9V
    • EINECS 253-577-8
    • DTXSID40865877
    • 2-butyl thiazole
    • Thiazole, 2-butyl
    • SCHEMBL559034
    • DTXCID10814236
    • AKOS026732315
    • NS00057940
    • Q27288396
    • 253-577-8

  • Applications

    2-Butylthiazole (CAS 37645-61-7) is used primarily as an odorant in perfumery and cosmetics, contributing distinctive notes; it is also considered for fragrance applications in household care products. Additionally, 2-Butylthiazole often serves as an intermediate in industrial manufacturing, particularly for the synthesis of pharmaceutical and agrochemical building blocks, and may be used as a specialty chemical in polymers/plastics. It may also be considered as a flavor/aroma ingredient in food processing, subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.68
    methanol 127.1
    isopropanol 147.18
    water 0.18
    ethyl acetate 151.96
    n-propanol 155.5
    acetone 303.51
    n-butanol 165.49
    acetonitrile 140.66
    DMF 616.05
    toluene 246.22
    isobutanol 138.82
    1,4-dioxane 352.43
    methyl acetate 177.46
    THF 501.28
    2-butanone 254.21
    n-pentanol 139.23
    sec-butanol 139.78
    n-hexane 22.53
    ethylene glycol 47.78
    NMP 426.47
    cyclohexane 74.79
    DMSO 648.2
    n-butyl acetate 265.25
    n-octanol 121.97
    chloroform 757.72
    n-propyl acetate 139.2
    acetic acid 164.21
    dichloromethane 659.25
    cyclohexanone 484.61
    propylene glycol 80.51
    isopropyl acetate 100.35
    DMAc 383.66
    2-ethoxyethanol 159.85
    isopentanol 152.09
    n-heptane 46.48
    ethyl formate 133.23
    1,2-dichloroethane 385.12
    n-hexanol 249.94
    2-methoxyethanol 221.47
    isobutyl acetate 110.46
    tetrachloromethane 132.32
    n-pentyl acetate 132.39
    transcutol 545.52
    n-heptanol 110.01
    ethylbenzene 108.22
    MIBK 122.24
    2-propoxyethanol 283.82
    tert-butanol 173.84
    MTBE 135.1
    2-butoxyethanol 155.72
    propionic acid 144.98
    o-xylene 137.77
    formic acid 27.61
    diethyl ether 129.87
    m-xylene 136.59
    p-xylene 143.59
    chlorobenzene 306.4
    dimethyl carbonate 74.72
    n-octane 18.9
    formamide 46.01
    cyclopentanone 477.17
    2-pentanone 193.9
    anisole 184.86
    cyclopentyl methyl ether 220.92
    gamma-butyrolactone 375.65
    1-methoxy-2-propanol 196.39
    pyridine 495.59
    3-pentanone 156.71
    furfural 436.5
    n-dodecane 20.77
    diethylene glycol 179.71
    diisopropyl ether 47.93
    tert-amyl alcohol 144.66
    acetylacetone 208.05
    n-hexadecane 23.85
    acetophenone 195.12
    methyl propionate 140.13
    isopentyl acetate 208.43
    trichloroethylene 757.61
    n-nonanol 105.05
    cyclohexanol 212.26
    benzyl alcohol 182.39
    2-ethylhexanol 162.15
    isooctanol 89.76
    dipropyl ether 162.51
    1,2-dichlorobenzene 263.13
    ethyl lactate 79.85
    propylene carbonate 258.74
    n-methylformamide 146.09
    2-pentanol 107.83
    n-pentane 25.82
    1-propoxy-2-propanol 235.02
    1-methoxy-2-propyl acetate 199.85
    2-(2-methoxypropoxy) propanol 182.32
    mesitylene 85.87
    ε-caprolactone 312.11
    p-cymene 102.29
    epichlorohydrin 402.91
    1,1,1-trichloroethane 373.34
    2-aminoethanol 90.88
    morpholine-4-carbaldehyde 396.39
    sulfolane 497.81
    2,2,4-trimethylpentane 18.68
    2-methyltetrahydrofuran 322.26
    n-hexyl acetate 184.76
    isooctane 15.31
    2-(2-butoxyethoxy)ethanol 228.62
    sec-butyl acetate 93.86
    tert-butyl acetate 119.95
    decalin 38.78
    glycerin 106.22
    diglyme 384.86
    acrylic acid 135.55
    isopropyl myristate 96.55
    n-butyric acid 199.44
    acetyl acetate 108.18
    di(2-ethylhexyl) phthalate 110.53
    ethyl propionate 102.85
    nitromethane 220.93
    1,2-diethoxyethane 226.54
    benzonitrile 286.89
    trioctyl phosphate 78.47
    1-bromopropane 234.55
    gamma-valerolactone 455.26
    n-decanol 86.93
    triethyl phosphate 86.05
    4-methyl-2-pentanol 71.21
    propionitrile 160.38
    vinylene carbonate 266.7
    1,1,2-trichlorotrifluoroethane 281.41
    DMS 138.64
    cumene 76.87
    2-octanol 81.57
    2-hexanone 172.17
    octyl acetate 117.94
    limonene 152.94
    1,2-dimethoxyethane 296.34
    ethyl orthosilicate 83.02
    tributyl phosphate 89.65
    diacetone alcohol 152.99
    N,N-dimethylaniline 144.72
    acrylonitrile 209.55
    aniline 223.61
    1,3-propanediol 119.66
    bromobenzene 363.24
    dibromomethane 466.3
    1,1,2,2-tetrachloroethane 584.18
    2-methyl-cyclohexyl acetate 159.09
    tetrabutyl urea 134.7
    diisobutyl methanol 90.91
    2-phenylethanol 207.07
    styrene 155.79
    dioctyl adipate 137.48
    dimethyl sulfate 135.33
    ethyl butyrate 164.99
    methyl lactate 94.14
    butyl lactate 124.73
    diethyl carbonate 113.67
    propanediol butyl ether 176.68
    triethyl orthoformate 127.81
    p-tert-butyltoluene 100.07
    methyl 4-tert-butylbenzoate 161.82
    morpholine 388.85
    tert-butylamine 124.05
    n-dodecanol 75.76
    dimethoxymethane 218.23
    ethylene carbonate 202.11
    cyrene 180.77
    2-ethoxyethyl acetate 172.07
    2-ethylhexyl acetate 182.32
    1,2,4-trichlorobenzene 293.39
    4-methylpyridine 462.35
    dibutyl ether 136.86
    2,6-dimethyl-4-heptanol 90.91
    DEF 229.85
    dimethyl isosorbide 286.99
    tetrachloroethylene 357.6
    eugenol 178.06
    triacetin 174.86
    span 80 197.56
    1,4-butanediol 73.79
    1,1-dichloroethane 360.17
    2-methyl-1-pentanol 127.63
    methyl formate 118.95
    2-methyl-1-butanol 138.66
    n-decane 29.73
    butyronitrile 203.63
    3,7-dimethyl-1-octanol 120.55
    1-chlorooctane 99.98
    1-chlorotetradecane 52.03
    n-nonane 28.14
    undecane 23.99
    tert-butylcyclohexane 31.22
    cyclooctane 26.07
    cyclopentanol 208.28
    tetrahydropyran 357.25
    tert-amyl methyl ether 106.25
    2,5,8-trioxanonane 306.34
    1-hexene 97.28
    2-isopropoxyethanol 130.29
    2,2,2-trifluoroethanol 50.88
    methyl butyrate 154.2

    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