2-(4-Methyl-5-thiazolyl)ethyl butanoate

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  • Identifiers

    CAS number
    94159-31-6

    Molecular formula
    C10H15NO2S

    SMILES
    CCCC(=O)OCCC1=C(N=CS1)C

  • Odor profile

    Fragrance
    Nutty 82.44%
    Roasted 80.95%
    Meaty 64.26%
    Fatty 47.12%
    Hazelnut 37.82%
    Cooked 36.29%
    Coffee 35.76%
    Popcorn 33.6%
    Savory 33.34%
    Beefy 32.82%

     

    Flavor
    Fruity 83.97%
    Pineapple 47.69%
    Sweet 45.95%
    Grape 37.94%
    Berry 37.51%
    Tropical 33.46%
    Fruit 33.37%
    Apple 33.08%
    Fatty 30.92%
    Wine 29.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.79 (neutral)

    Molecular weight
    213.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 119.17 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(4-Methylthiazol-5-yl)ethyl butyrate
    • 94159-31-6
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate
    • 2-(4-Methyl-5-thiazolyl)ethyl butanoate
    • sulfuryl butyrate
    • 2-(4-Methyl-5-thiazolyl)ethyl Butyrate
    • EINECS 303-209-8
    • Surfurol butyrate
    • UNII-27MC9Q333F
    • 27MC9Q333F
    • MFCD09032913
    • FEMA NO. 4277
    • DTXSID40240862
    • 2-(4-METHYL-5-THIAZOLYL)ETHYL BUTANOATE [FHFI]
    • BUTANOIC ACID, 2-(4-METHYL-5-THIAZOLYL)ETHYL ESTER
    • SCHEMBL3508362
    • DTXCID70163353
    • CHEBI:169598
    • GDRZNYCKSKHESZ-UHFFFAOYSA-N
    • AKOS015839534
    • 2-(4-Methylthiazol-5-yl)ethylbutyrate
    • 5-(2-Butyryloxyethyl)-4-methylthiazole
    • AS-63659
    • SY055427
    • CS-0186421
    • M2489
    • NS00066541
    • F20457
    • Butyric Acid 2-(4-Methyl-5-thiazolyl)ethyl Ester
    • Q27254214

  • Applications

    2-(4-Methyl-5-thiazolyl)ethyl butanoate is used primarily as a fragrance/odorant intermediate in perfumery, contributing thiazole-related notes; it may be employed as an aroma compound in flavor applications where permitted; in cosmetics and personal care it can serve as a fragrance ingredient or perfuming agent; in household products it may be used as a fragrance additive to impart character and longevity; in industrial manufacturing it can function as an intermediate for the synthesis of other thiazole-containing fragrance compounds; and in coatings and inks it may be used as a specialty odorant or fixative to modulate scent retention. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.48
    methanol 135.46
    isopropanol 67.91
    water 1.16
    ethyl acetate 108.94
    n-propanol 75.74
    acetone 239.32
    n-butanol 80.01
    acetonitrile 140.71
    DMF 712.51
    toluene 106.23
    isobutanol 66.36
    1,4-dioxane 261.74
    methyl acetate 124.6
    THF 263.5
    2-butanone 174.5
    n-pentanol 77.99
    sec-butanol 67.29
    n-hexane 4.1
    ethylene glycol 32.08
    NMP 593.54
    cyclohexane 9.69
    DMSO 606.1
    n-butyl acetate 100.55
    n-octanol 19.69
    chloroform 751.01
    n-propyl acetate 88.42
    acetic acid 269.7
    dichloromethane 663.85
    cyclohexanone 315.27
    propylene glycol 43.71
    isopropyl acetate 75.95
    DMAc 720.72
    2-ethoxyethanol 188.56
    isopentanol 83.31
    n-heptane 2.3
    ethyl formate 91.69
    1,2-dichloroethane 361.8
    n-hexanol 50.56
    2-methoxyethanol 253.99
    isobutyl acetate 62.32
    tetrachloromethane 65.52
    n-pentyl acetate 62.84
    transcutol 510.45
    n-heptanol 26.25
    ethylbenzene 52.66
    MIBK 85.21
    2-propoxyethanol 138.18
    tert-butanol 112.59
    MTBE 91.36
    2-butoxyethanol 81.31
    propionic acid 116.02
    o-xylene 76.11
    formic acid 125.33
    diethyl ether 75.28
    m-xylene 68.48
    p-xylene 84.76
    chlorobenzene 240.76
    dimethyl carbonate 74.07
    n-octane 1.27
    formamide 215.94
    cyclopentanone 324.39
    2-pentanone 124.21
    anisole 165.81
    cyclopentyl methyl ether 117.95
    gamma-butyrolactone 352.88
    1-methoxy-2-propanol 159.38
    pyridine 343.85
    3-pentanone 119.03
    furfural 481.52
    n-dodecane 1.62
    diethylene glycol 137.67
    diisopropyl ether 23.44
    tert-amyl alcohol 97.37
    acetylacetone 199.04
    n-hexadecane 1.94
    acetophenone 185.81
    methyl propionate 108.01
    isopentyl acetate 95.16
    trichloroethylene 867.38
    n-nonanol 21.74
    cyclohexanol 95.55
    benzyl alcohol 152.36
    2-ethylhexanol 36.38
    isooctanol 24.82
    dipropyl ether 33.17
    1,2-dichlorobenzene 226.69
    ethyl lactate 61.23
    propylene carbonate 188.83
    n-methylformamide 201.03
    2-pentanol 48.14
    n-pentane 3.48
    1-propoxy-2-propanol 90.75
    1-methoxy-2-propyl acetate 125.04
    2-(2-methoxypropoxy) propanol 123.58
    mesitylene 38.93
    ε-caprolactone 241.67
    p-cymene 29.55
    epichlorohydrin 420.14
    1,1,1-trichloroethane 294.98
    2-aminoethanol 71.1
    morpholine-4-carbaldehyde 515.68
    sulfolane 508.45
    2,2,4-trimethylpentane 5.53
    2-methyltetrahydrofuran 181.17
    n-hexyl acetate 72.71
    isooctane 3.15
    2-(2-butoxyethoxy)ethanol 146.37
    sec-butyl acetate 65.06
    tert-butyl acetate 97.43
    decalin 9.38
    glycerin 97.3
    diglyme 290.23
    acrylic acid 142.73
    isopropyl myristate 32.56
    n-butyric acid 145.48
    acetyl acetate 105.32
    di(2-ethylhexyl) phthalate 53.57
    ethyl propionate 76.1
    nitromethane 446.13
    1,2-diethoxyethane 128.26
    benzonitrile 193.36
    trioctyl phosphate 28.21
    1-bromopropane 126.57
    gamma-valerolactone 495.91
    n-decanol 16.88
    triethyl phosphate 61.49
    4-methyl-2-pentanol 36.08
    propionitrile 95.73
    vinylene carbonate 218.29
    1,1,2-trichlorotrifluoroethane 350.64
    DMS 114.71
    cumene 37.98
    2-octanol 18.09
    2-hexanone 105.68
    octyl acetate 40.68
    limonene 40.77
    1,2-dimethoxyethane 299.01
    ethyl orthosilicate 55.42
    tributyl phosphate 42.38
    diacetone alcohol 125.14
    N,N-dimethylaniline 115.28
    acrylonitrile 163.28
    aniline 160.57
    1,3-propanediol 108.42
    bromobenzene 247.38
    dibromomethane 355.92
    1,1,2,2-tetrachloroethane 614.95
    2-methyl-cyclohexyl acetate 84.15
    tetrabutyl urea 63.11
    diisobutyl methanol 24.54
    2-phenylethanol 98.37
    styrene 85.28
    dioctyl adipate 65.11
    dimethyl sulfate 187.78
    ethyl butyrate 73.17
    methyl lactate 84.91
    butyl lactate 63.29
    diethyl carbonate 64.77
    propanediol butyl ether 78.79
    triethyl orthoformate 63.57
    p-tert-butyltoluene 28.44
    methyl 4-tert-butylbenzoate 107.91
    morpholine 292.29
    tert-butylamine 62.33
    n-dodecanol 13.66
    dimethoxymethane 199.86
    ethylene carbonate 158.28
    cyrene 173.93
    2-ethoxyethyl acetate 118.87
    2-ethylhexyl acetate 81.18
    1,2,4-trichlorobenzene 291.4
    4-methylpyridine 343.73
    dibutyl ether 32.23
    2,6-dimethyl-4-heptanol 24.54
    DEF 209.65
    dimethyl isosorbide 200.14
    tetrachloroethylene 349.78
    eugenol 123.18
    triacetin 117.75
    span 80 92.83
    1,4-butanediol 61.75
    1,1-dichloroethane 290.98
    2-methyl-1-pentanol 87.04
    methyl formate 143.11
    2-methyl-1-butanol 76.97
    n-decane 2.29
    butyronitrile 98.18
    3,7-dimethyl-1-octanol 29.55
    1-chlorooctane 15.82
    1-chlorotetradecane 8.33
    n-nonane 1.81
    undecane 1.85
    tert-butylcyclohexane 7.42
    cyclooctane 2.79
    cyclopentanol 95.09
    tetrahydropyran 172.06
    tert-amyl methyl ether 78.02
    2,5,8-trioxanonane 223.98
    1-hexene 26.73
    2-isopropoxyethanol 118.58
    2,2,2-trifluoroethanol 123.37
    methyl butyrate 107.12

    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