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

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  • Identifiers

    CAS number
    94159-32-7

    Molecular formula
    C12H19NO2S

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

  • Odor profile

    Fragrance
    Roasted 78.08%
    Nutty 78.07%
    Meaty 58.62%
    Fatty 52.79%
    Hazelnut 33.89%
    Savory 33.34%
    Cooked 32.24%
    Popcorn 29.21%
    Coffee 28.46%
    Beefy 27.49%

     

    Flavor
    Fruity 73.47%
    Pineapple 44.57%
    Green 43.27%
    Tropical 39.01%
    Sweet 35.02%
    Fatty 33.69%
    Berry 32.35%
    Waxy 31.27%
    Oily 30.83%
    Apple 30.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.2 (neutral)

    Molecular weight
    241.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 130.73 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 94159-32-7
    • 2-(4-Methylthiazol-5-yl)ethyl hexanoate
    • 2-(4-Methyl-5-thiazolyl)ethyl Hexanoate
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate
    • sulfuryl hexanoate
    • UNII-9J734HMU58
    • 9J734HMU58
    • EINECS 303-210-3
    • FEMA NO. 4279
    • DTXSID00240863
    • 2-(4-METHYL-5-THIAZOLYL)ETHYL HEXANOATE [FHFI]
    • HEXANOIC ACID, 2-(4-METHYL-5-THIAZOLYL)ETHYL ESTER
    • MFCD09032914
    • SCHEMBL3505042
    • DTXCID30163354
    • VJULDCZELAIZHC-UHFFFAOYSA-N
    • AKOS015839672
    • 2-(4-Methylthiazol-5-yl)ethylhexanoate
    • 5-(2-Hexanoyloxyethyl)-4-methylthiazole
    • AS-64104
    • M2491
    • NS00065537
    • D91604
    • hexanoic acid 2-(4-methyl-5-thiazolyl)ethyl ester
    • Q27272618
    • 303-210-3

  • Applications

    2-(4-Methyl-5-thiazolyl)ethyl hexanoate (CAS 94159-32-7) is commonly evaluated as an odorant for fragrance and flavor applications, with the thiazole moiety contributing meaty and roasted aroma notes; it may be used as a fragrance ingredient in perfumery and as a flavor/aroma additive in food-related contexts. It may also serve in cosmetics and personal care products as a fragrance component, and in household products such as air fresheners and cleaners for scenting. In industrial settings, it can function as an intermediate in the synthesis of other thiazole-containing compounds, and may be used as an odorant additive in coatings, inks, and polymer formulations to impart or retain scent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.57
    methanol 208.27
    isopropanol 83.83
    water 0.46
    ethyl acetate 255.75
    n-propanol 105.27
    acetone 401.44
    n-butanol 105.82
    acetonitrile 201.07
    DMF 906.72
    toluene 208.6
    isobutanol 82.64
    1,4-dioxane 490.34
    methyl acetate 249.79
    THF 464.9
    2-butanone 329.3
    n-pentanol 101.79
    sec-butanol 82.2
    n-hexane 3.63
    ethylene glycol 33.7
    NMP 827.9
    cyclohexane 15.48
    DMSO 772.63
    n-butyl acetate 187.88
    n-octanol 21.19
    chloroform 1331.07
    n-propyl acetate 173.36
    acetic acid 344.15
    dichloromethane 1169.08
    cyclohexanone 619.13
    propylene glycol 48.59
    isopropyl acetate 154.9
    DMAc 1030.61
    2-ethoxyethanol 249.38
    isopentanol 115.01
    n-heptane 2.3
    ethyl formate 152.13
    1,2-dichloroethane 707.33
    n-hexanol 70.37
    2-methoxyethanol 317.03
    isobutyl acetate 123.09
    tetrachloromethane 101.61
    n-pentyl acetate 97.64
    transcutol 872.73
    n-heptanol 31.6
    ethylbenzene 75.09
    MIBK 136.2
    2-propoxyethanol 200.57
    tert-butanol 132.84
    MTBE 141.42
    2-butoxyethanol 107.67
    propionic acid 161.02
    o-xylene 116.43
    formic acid 139.95
    diethyl ether 134.74
    m-xylene 107.85
    p-xylene 123.03
    chlorobenzene 423.81
    dimethyl carbonate 110.63
    n-octane 1.22
    formamide 246.14
    cyclopentanone 568.97
    2-pentanone 230.9
    anisole 232.28
    cyclopentyl methyl ether 203.14
    gamma-butyrolactone 596.58
    1-methoxy-2-propanol 195.37
    pyridine 648.27
    3-pentanone 222.17
    furfural 708.54
    n-dodecane 1.56
    diethylene glycol 178.31
    diisopropyl ether 32.76
    tert-amyl alcohol 105.51
    acetylacetone 347.61
    n-hexadecane 1.91
    acetophenone 265.85
    methyl propionate 199.51
    isopentyl acetate 170.33
    trichloroethylene 1590.89
    n-nonanol 23.6
    cyclohexanol 149.37
    benzyl alcohol 208.89
    2-ethylhexanol 47.51
    isooctanol 30.58
    dipropyl ether 46.6
    1,2-dichlorobenzene 383.18
    ethyl lactate 79.69
    propylene carbonate 318.71
    n-methylformamide 235.96
    2-pentanol 60.0
    n-pentane 3.38
    1-propoxy-2-propanol 126.32
    1-methoxy-2-propyl acetate 209.65
    2-(2-methoxypropoxy) propanol 159.7
    mesitylene 59.19
    ε-caprolactone 472.02
    p-cymene 40.02
    epichlorohydrin 762.36
    1,1,1-trichloroethane 528.88
    2-aminoethanol 84.21
    morpholine-4-carbaldehyde 752.27
    sulfolane 712.19
    2,2,4-trimethylpentane 5.81
    2-methyltetrahydrofuran 336.16
    n-hexyl acetate 105.42
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 199.92
    sec-butyl acetate 120.95
    tert-butyl acetate 169.16
    decalin 11.18
    glycerin 104.34
    diglyme 421.74
    acrylic acid 173.29
    isopropyl myristate 43.6
    n-butyric acid 241.96
    acetyl acetate 200.4
    di(2-ethylhexyl) phthalate 68.72
    ethyl propionate 131.76
    nitromethane 647.98
    1,2-diethoxyethane 228.18
    benzonitrile 286.57
    trioctyl phosphate 35.05
    1-bromopropane 222.9
    gamma-valerolactone 828.7
    n-decanol 18.12
    triethyl phosphate 82.33
    4-methyl-2-pentanol 45.76
    propionitrile 156.02
    vinylene carbonate 339.7
    1,1,2-trichlorotrifluoroethane 518.71
    DMS 170.42
    cumene 47.18
    2-octanol 19.8
    2-hexanone 178.36
    octyl acetate 54.98
    limonene 56.31
    1,2-dimethoxyethane 418.15
    ethyl orthosilicate 75.61
    tributyl phosphate 55.65
    diacetone alcohol 177.71
    N,N-dimethylaniline 144.97
    acrylonitrile 233.15
    aniline 273.51
    1,3-propanediol 131.96
    bromobenzene 453.84
    dibromomethane 645.46
    1,1,2,2-tetrachloroethane 1136.86
    2-methyl-cyclohexyl acetate 124.48
    tetrabutyl urea 79.05
    diisobutyl methanol 30.62
    2-phenylethanol 146.59
    styrene 127.84
    dioctyl adipate 90.06
    dimethyl sulfate 239.36
    ethyl butyrate 121.48
    methyl lactate 104.66
    butyl lactate 88.77
    diethyl carbonate 99.11
    propanediol butyl ether 96.79
    triethyl orthoformate 97.21
    p-tert-butyltoluene 36.88
    methyl 4-tert-butylbenzoate 142.89
    morpholine 549.22
    tert-butylamine 71.27
    n-dodecanol 14.6
    dimethoxymethane 287.84
    ethylene carbonate 266.34
    cyrene 211.04
    2-ethoxyethyl acetate 206.22
    2-ethylhexyl acetate 139.3
    1,2,4-trichlorobenzene 483.01
    4-methylpyridine 625.52
    dibutyl ether 41.89
    2,6-dimethyl-4-heptanol 30.62
    DEF 376.74
    dimethyl isosorbide 289.08
    tetrachloroethylene 638.9
    eugenol 157.49
    triacetin 169.55
    span 80 121.13
    1,4-butanediol 71.03
    1,1-dichloroethane 576.62
    2-methyl-1-pentanol 110.37
    methyl formate 170.66
    2-methyl-1-butanol 102.16
    n-decane 2.19
    butyronitrile 153.24
    3,7-dimethyl-1-octanol 34.65
    1-chlorooctane 17.97
    1-chlorotetradecane 8.76
    n-nonane 1.71
    undecane 1.77
    tert-butylcyclohexane 8.16
    cyclooctane 3.73
    cyclopentanol 136.12
    tetrahydropyran 360.62
    tert-amyl methyl ether 105.57
    2,5,8-trioxanonane 310.77
    1-hexene 27.98
    2-isopropoxyethanol 161.99
    2,2,2-trifluoroethanol 144.95
    methyl butyrate 199.4

    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