4-Butylthiazole

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  • Identifiers

    CAS number
    53833-33-3

    Molecular formula
    C7H11NS

    SMILES
    CCCCC1=CSC=N1

  • Odor profile

    Fragrance
    Green 93.45%
    Vegetable 73.85%
    Herbal 58.65%
    Nutty 48.66%
    Earthy 44.19%
    Leafy 38.48%
    Fatty 37.75%
    Meaty 37.1%
    Tomato 33.65%
    Roasted 32.02%

     

    Flavor
    Green 91.14%
    Nutty 58.34%
    Fatty 53.86%
    Vegetable 51.59%
    Earthy 47.59%
    Pepper 46.48%
    Herbal 44.41%
    Fruity 40.63%
    Raw 36.81%
    Roasted 33.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.29 (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

    • 73.88 ˚C est.

  • Synonyms

    • 4-butylthiazole
    • 4-N-Butylthiazole
    • Thiazole, 4-butyl-
    • 99Q60N21FJ
    • 53833-33-3
    • UNII-99Q60N21FJ
    • DTXSID101019839
    • 4-Butyl-1,3-thiazole
    • 4-butyl thiazole
    • 4-n-Butylthiazol
    • SCHEMBL1527338
    • FXVDDYOQIPLCAV-UHFFFAOYSA-N
    • DTXCID001477713
    • NS00121500
    • Q27272233

  • Applications

    4-Butylthiazole (CAS 53833-33-3) is primarily used as an odorant in fragrance and flavor formulations, contributing roasted and nutty notes in perfumery and aroma applications. It is commonly evaluated as a synthetic intermediate for the preparation of other thiazole-containing compounds in industrial manufacturing. In cosmetics and personal care as well as in household products such as air fresheners and cleaners, it may serve as a fragrance ingredient. It can also function as a specialty odorant modifier in coatings and inks and as a building block in polymer/plastic chemistry for functionalized heterocycles. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.01
    methanol 190.2
    isopropanol 178.9
    water 0.23
    ethyl acetate 167.17
    n-propanol 198.64
    acetone 368.93
    n-butanol 206.02
    acetonitrile 172.03
    DMF 628.06
    toluene 268.88
    isobutanol 164.91
    1,4-dioxane 423.84
    methyl acetate 184.63
    THF 563.6
    2-butanone 264.22
    n-pentanol 171.74
    sec-butanol 156.49
    n-hexane 37.3
    ethylene glycol 58.63
    NMP 403.53
    cyclohexane 118.56
    DMSO 763.75
    n-butyl acetate 308.82
    n-octanol 128.46
    chloroform 919.22
    n-propyl acetate 162.59
    acetic acid 219.12
    dichloromethane 815.48
    cyclohexanone 513.49
    propylene glycol 88.84
    isopropyl acetate 104.86
    DMAc 350.2
    2-ethoxyethanol 182.81
    isopentanol 174.81
    n-heptane 74.52
    ethyl formate 159.46
    1,2-dichloroethane 474.67
    n-hexanol 306.92
    2-methoxyethanol 266.44
    isobutyl acetate 122.7
    tetrachloromethane 170.98
    n-pentyl acetate 137.37
    transcutol 625.32
    n-heptanol 121.65
    ethylbenzene 114.49
    MIBK 126.35
    2-propoxyethanol 321.62
    tert-butanol 191.86
    MTBE 138.26
    2-butoxyethanol 169.94
    propionic acid 166.8
    o-xylene 140.85
    formic acid 41.28
    diethyl ether 170.14
    m-xylene 145.11
    p-xylene 152.16
    chlorobenzene 349.51
    dimethyl carbonate 77.88
    n-octane 25.76
    formamide 65.53
    cyclopentanone 480.94
    2-pentanone 208.09
    anisole 189.06
    cyclopentyl methyl ether 239.3
    gamma-butyrolactone 383.89
    1-methoxy-2-propanol 211.91
    pyridine 559.04
    3-pentanone 163.6
    furfural 449.38
    n-dodecane 24.3
    diethylene glycol 200.2
    diisopropyl ether 56.7
    tert-amyl alcohol 147.16
    acetylacetone 217.92
    n-hexadecane 27.75
    acetophenone 197.17
    methyl propionate 147.42
    isopentyl acetate 226.82
    trichloroethylene 892.92
    n-nonanol 111.58
    cyclohexanol 245.25
    benzyl alcohol 190.71
    2-ethylhexanol 186.07
    isooctanol 96.01
    dipropyl ether 209.01
    1,2-dichlorobenzene 289.12
    ethyl lactate 85.55
    propylene carbonate 263.12
    n-methylformamide 179.53
    2-pentanol 126.64
    n-pentane 44.18
    1-propoxy-2-propanol 260.61
    1-methoxy-2-propyl acetate 202.11
    2-(2-methoxypropoxy) propanol 186.96
    mesitylene 89.35
    ε-caprolactone 319.93
    p-cymene 107.03
    epichlorohydrin 427.63
    1,1,1-trichloroethane 427.8
    2-aminoethanol 112.98
    morpholine-4-carbaldehyde 398.08
    sulfolane 488.11
    2,2,4-trimethylpentane 22.24
    2-methyltetrahydrofuran 342.59
    n-hexyl acetate 185.09
    isooctane 19.13
    2-(2-butoxyethoxy)ethanol 246.83
    sec-butyl acetate 100.53
    tert-butyl acetate 120.16
    decalin 45.65
    glycerin 115.12
    diglyme 410.75
    acrylic acid 156.59
    isopropyl myristate 96.53
    n-butyric acid 237.27
    acetyl acetate 118.31
    di(2-ethylhexyl) phthalate 111.54
    ethyl propionate 112.31
    nitromethane 267.38
    1,2-diethoxyethane 258.3
    benzonitrile 312.2
    trioctyl phosphate 80.6
    1-bromopropane 302.37
    gamma-valerolactone 463.3
    n-decanol 91.12
    triethyl phosphate 88.84
    4-methyl-2-pentanol 78.55
    propionitrile 188.19
    vinylene carbonate 280.94
    1,1,2-trichlorotrifluoroethane 317.84
    DMS 138.97
    cumene 79.87
    2-octanol 83.41
    2-hexanone 190.73
    octyl acetate 117.79
    limonene 163.46
    1,2-dimethoxyethane 347.22
    ethyl orthosilicate 88.52
    tributyl phosphate 91.38
    diacetone alcohol 150.27
    N,N-dimethylaniline 144.34
    acrylonitrile 237.3
    aniline 244.97
    1,3-propanediol 145.88
    bromobenzene 415.97
    dibromomethane 589.46
    1,1,2,2-tetrachloroethane 668.49
    2-methyl-cyclohexyl acetate 162.71
    tetrabutyl urea 137.79
    diisobutyl methanol 98.26
    2-phenylethanol 217.17
    styrene 171.45
    dioctyl adipate 141.87
    dimethyl sulfate 133.78
    ethyl butyrate 186.21
    methyl lactate 98.0
    butyl lactate 128.12
    diethyl carbonate 123.72
    propanediol butyl ether 184.49
    triethyl orthoformate 141.63
    p-tert-butyltoluene 100.74
    methyl 4-tert-butylbenzoate 159.89
    morpholine 456.64
    tert-butylamine 147.5
    n-dodecanol 79.46
    dimethoxymethane 253.76
    ethylene carbonate 219.76
    cyrene 174.4
    2-ethoxyethyl acetate 179.81
    2-ethylhexyl acetate 200.03
    1,2,4-trichlorobenzene 305.09
    4-methylpyridine 478.87
    dibutyl ether 159.01
    2,6-dimethyl-4-heptanol 98.26
    DEF 237.51
    dimethyl isosorbide 285.82
    tetrachloroethylene 438.64
    eugenol 179.21
    triacetin 173.76
    span 80 205.96
    1,4-butanediol 86.4
    1,1-dichloroethane 424.24
    2-methyl-1-pentanol 144.85
    methyl formate 138.13
    2-methyl-1-butanol 153.36
    n-decane 36.18
    butyronitrile 245.95
    3,7-dimethyl-1-octanol 123.97
    1-chlorooctane 112.5
    1-chlorotetradecane 57.6
    n-nonane 35.66
    undecane 28.53
    tert-butylcyclohexane 35.77
    cyclooctane 38.27
    cyclopentanol 225.59
    tetrahydropyran 435.18
    tert-amyl methyl ether 105.58
    2,5,8-trioxanonane 330.4
    1-hexene 136.85
    2-isopropoxyethanol 139.3
    2,2,2-trifluoroethanol 61.83
    methyl butyrate 171.28

    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