1-(4-Methylthiazol-2-yl)prop-2-en-1-ol

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  • Identifiers

    CAS number
    59020-78-9

    Molecular formula
    C7H9NOS

    SMILES
    CC1=CSC(=N1)C(C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Roasted 52.96%
    Meaty 50.64%
    Nutty 44.78%
    Cooked 33.17%
    Sulfurous 29.95%
    Savory 29.49%
    Popcorn 27.53%
    Beefy 26.81%
    Burnt 26.59%
    Coffee 24.98%

     

    Flavor
    Roasted 41.55%
    Bitter 39.65%
    Nutty 38.84%
    Roast 31.12%
    Popcorn 26.33%
    Cooked 25.04%
    Hazelnut 24.47%
    Roasted peanuts 22.55%
    Odorless 22.3%
    Bread crust 22.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.92 (neutral)

    Molecular weight
    155.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 109.75 ˚C est.

  • Synonyms

    • 1-(4-methylthiazol-2-yl)prop-2-en-1-ol
    • 59020-78-9
    • MFCD22571453
    • a-Ethenyl-4-methyl-2-thiazolemethanol
    • SY504129
    • 59020-78-9

  • Applications

    1-(4-Methylthiazol-2-yl)prop-2-en-1-ol (CAS 59020-78-9) is commonly used as a fragrance intermediate and odorant in perfumery, contributing a thiazole-based note that can be incorporated into various fragrance systems; it may also serve as a flavor precursor in flavor chemistry; in cosmetics and personal care it functions as a fragrance ingredient; the allyl alcohol moiety enables it to act as a reactive intermediate in polymer and coating formulations, supporting crosslinking or functionalization; and it is evaluated for use as a building block in industrial manufacturing of specialty chemicals for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.6
    methanol 109.68
    isopropanol 60.82
    water 3.59
    ethyl acetate 35.65
    n-propanol 62.38
    acetone 104.2
    n-butanol 57.08
    acetonitrile 47.62
    DMF 411.95
    toluene 29.68
    isobutanol 50.63
    1,4-dioxane 110.54
    methyl acetate 53.84
    THF 156.58
    2-butanone 79.03
    n-pentanol 57.53
    sec-butanol 53.74
    n-hexane 1.66
    ethylene glycol 52.39
    NMP 222.01
    cyclohexane 4.25
    DMSO 390.78
    n-butyl acetate 48.82
    n-octanol 47.5
    chloroform 82.26
    n-propyl acetate 38.59
    acetic acid 51.35
    dichloromethane 87.11
    cyclohexanone 117.26
    propylene glycol 48.63
    isopropyl acetate 28.04
    DMAc 270.49
    2-ethoxyethanol 110.72
    isopentanol 49.96
    n-heptane 5.34
    ethyl formate 50.27
    1,2-dichloroethane 56.17
    n-hexanol 69.64
    2-methoxyethanol 152.35
    isobutyl acetate 30.61
    tetrachloromethane 14.64
    n-pentyl acetate 40.31
    transcutol 152.08
    n-heptanol 46.93
    ethylbenzene 22.27
    MIBK 45.47
    2-propoxyethanol 122.58
    tert-butanol 69.49
    MTBE 39.86
    2-butoxyethanol 75.52
    propionic acid 48.71
    o-xylene 32.63
    formic acid 28.88
    diethyl ether 29.64
    m-xylene 30.42
    p-xylene 31.06
    chlorobenzene 44.22
    dimethyl carbonate 33.21
    n-octane 3.42
    formamide 48.77
    cyclopentanone 130.55
    2-pentanone 57.83
    anisole 57.72
    cyclopentyl methyl ether 55.74
    gamma-butyrolactone 116.84
    1-methoxy-2-propanol 111.57
    pyridine 78.11
    3-pentanone 46.58
    furfural 148.23
    n-dodecane 4.7
    diethylene glycol 118.33
    diisopropyl ether 11.92
    tert-amyl alcohol 57.33
    acetylacetone 71.46
    n-hexadecane 5.32
    acetophenone 67.82
    methyl propionate 47.61
    isopentyl acetate 49.28
    trichloroethylene 104.2
    n-nonanol 44.16
    cyclohexanol 52.93
    benzyl alcohol 66.44
    2-ethylhexanol 47.24
    isooctanol 38.75
    dipropyl ether 33.53
    1,2-dichlorobenzene 47.45
    ethyl lactate 42.91
    propylene carbonate 72.94
    n-methylformamide 107.79
    2-pentanol 36.51
    n-pentane 2.3
    1-propoxy-2-propanol 88.52
    1-methoxy-2-propyl acetate 62.93
    2-(2-methoxypropoxy) propanol 78.66
    mesitylene 21.09
    ε-caprolactone 80.9
    p-cymene 27.62
    epichlorohydrin 115.63
    1,1,1-trichloroethane 45.68
    2-aminoethanol 66.64
    morpholine-4-carbaldehyde 192.59
    sulfolane 217.87
    2,2,4-trimethylpentane 3.67
    2-methyltetrahydrofuran 79.08
    n-hexyl acetate 55.3
    isooctane 3.2
    2-(2-butoxyethoxy)ethanol 98.02
    sec-butyl acetate 27.44
    tert-butyl acetate 36.09
    decalin 5.67
    glycerin 84.54
    diglyme 153.68
    acrylic acid 49.67
    isopropyl myristate 31.77
    n-butyric acid 54.11
    acetyl acetate 26.64
    di(2-ethylhexyl) phthalate 38.88
    ethyl propionate 32.21
    nitromethane 94.67
    1,2-diethoxyethane 57.94
    benzonitrile 68.01
    trioctyl phosphate 32.28
    1-bromopropane 29.74
    gamma-valerolactone 160.46
    n-decanol 36.76
    triethyl phosphate 30.89
    4-methyl-2-pentanol 27.84
    propionitrile 47.29
    vinylene carbonate 72.77
    1,1,2-trichlorotrifluoroethane 97.08
    DMS 42.18
    cumene 20.74
    2-octanol 34.84
    2-hexanone 51.91
    octyl acetate 41.21
    limonene 37.97
    1,2-dimethoxyethane 152.62
    ethyl orthosilicate 29.52
    tributyl phosphate 31.87
    diacetone alcohol 68.73
    N,N-dimethylaniline 53.72
    acrylonitrile 66.0
    aniline 48.35
    1,3-propanediol 77.28
    bromobenzene 40.99
    dibromomethane 50.57
    1,1,2,2-tetrachloroethane 87.37
    2-methyl-cyclohexyl acetate 48.79
    tetrabutyl urea 53.4
    diisobutyl methanol 31.33
    2-phenylethanol 68.08
    styrene 26.67
    dioctyl adipate 44.04
    dimethyl sulfate 71.85
    ethyl butyrate 42.82
    methyl lactate 54.66
    butyl lactate 46.9
    diethyl carbonate 30.04
    propanediol butyl ether 74.94
    triethyl orthoformate 35.12
    p-tert-butyltoluene 25.83
    methyl 4-tert-butylbenzoate 65.44
    morpholine 106.83
    tert-butylamine 38.85
    n-dodecanol 30.46
    dimethoxymethane 117.72
    ethylene carbonate 56.27
    cyrene 97.31
    2-ethoxyethyl acetate 51.45
    2-ethylhexyl acetate 39.54
    1,2,4-trichlorobenzene 59.95
    4-methylpyridine 84.83
    dibutyl ether 33.33
    2,6-dimethyl-4-heptanol 31.33
    DEF 92.23
    dimethyl isosorbide 116.34
    tetrachloroethylene 53.81
    eugenol 74.91
    triacetin 55.92
    span 80 72.39
    1,4-butanediol 55.35
    1,1-dichloroethane 48.88
    2-methyl-1-pentanol 50.38
    methyl formate 86.11
    2-methyl-1-butanol 47.16
    n-decane 6.19
    butyronitrile 50.83
    3,7-dimethyl-1-octanol 44.23
    1-chlorooctane 25.24
    1-chlorotetradecane 13.25
    n-nonane 5.16
    undecane 5.32
    tert-butylcyclohexane 5.51
    cyclooctane 2.38
    cyclopentanol 63.08
    tetrahydropyran 64.59
    tert-amyl methyl ether 36.57
    2,5,8-trioxanonane 129.02
    1-hexene 10.1
    2-isopropoxyethanol 78.54
    2,2,2-trifluoroethanol 29.87
    methyl butyrate 49.67

    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