1-(4-Methyl-1,3-thiazol-5-yl)ethan-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    45657-12-3

    Molecular formula
    C6H9NOS

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.26%
    Roasted 71.33%
    Meaty 66.78%
    Sulfurous 39.96%
    Coffee 39.71%
    Beefy 38.9%
    Hazelnut 36.66%
    Burnt 34.25%
    Cooked 33.26%
    Savory 33.08%

     

    Flavor
    Nutty 44.86%
    Roasted 44.24%
    Coffee 34.89%
    Roast 34.12%
    Meaty 33.45%
    Fatty 31.7%
    Vegetable 30.71%
    Musty 30.62%
    Earthy 28.84%
    Bitter 27.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.41 (neutral)

    Molecular weight
    143.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 98.45 ˚C est.

  • Synonyms

    • 5-(1-Hydroxyethyl)-4-methylthiazole
    • 45657-12-3
    • 5-Thiazolemethanol, alpha,4-dimethyl-
    • 1-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol
    • DTXSID90963413
    • RefChem:101550
    • DTXCID701391164
    • 973-825-5
    • 1-(4-Methyl-1,3-thiazol-5-yl)ethanol
    • SCHEMBL1844819
    • SCHEMBL4777827
    • ALBB-036365
    • AKOS009158641
    • 1-(4-Methylthiazol-5-yl)ethan-1-ol
    • 1-(4-Methyl-1,3-thiazol-5-yl)ethanol #
    • H49188
    • EN300-1232082
    • 5-(1-Hydroxyethyl)-4-methylthiazole (NLA 272)
    • 45657-12-3

  • Applications

    1-(4-Methyl-1,3-thiazol-5-yl)ethan-1-ol (CAS 45657-12-3) is primarily used as an intermediate for the synthesis of heteroaryl thiazole compounds and related actives in pharmaceutical and agrochemical chemistries; owing to its primary alcohol group, it can undergo esterification or etherification, making it a convenient building block for fragrance and flavor ingredients, as well as cosmetic/personal care formulations; it may also serve as a starting point for polymer or plastic derivatives containing a thiazole motif, and can be utilized in coatings/inks or adhesives as a functionalized alcohol precursor, depending on formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.42
    methanol 317.11
    isopropanol 140.06
    water 19.99
    ethyl acetate 126.49
    n-propanol 160.46
    acetone 217.32
    n-butanol 135.06
    acetonitrile 152.96
    DMF 473.71
    toluene 58.69
    isobutanol 105.24
    1,4-dioxane 369.98
    methyl acetate 137.1
    THF 502.67
    2-butanone 139.74
    n-pentanol 93.37
    sec-butanol 108.57
    n-hexane 6.46
    ethylene glycol 134.01
    NMP 387.34
    cyclohexane 11.08
    DMSO 474.39
    n-butyl acetate 74.92
    n-octanol 46.61
    chloroform 202.26
    n-propyl acetate 63.78
    acetic acid 204.21
    dichloromethane 187.86
    cyclohexanone 221.73
    propylene glycol 108.52
    isopropyl acetate 74.7
    DMAc 265.23
    2-ethoxyethanol 214.97
    isopentanol 99.9
    n-heptane 9.58
    ethyl formate 101.52
    1,2-dichloroethane 129.93
    n-hexanol 98.43
    2-methoxyethanol 420.26
    isobutyl acetate 46.6
    tetrachloromethane 45.07
    n-pentyl acetate 58.44
    transcutol 370.84
    n-heptanol 49.65
    ethylbenzene 21.06
    MIBK 81.83
    2-propoxyethanol 224.06
    tert-butanol 153.99
    MTBE 88.3
    2-butoxyethanol 112.91
    propionic acid 131.47
    o-xylene 38.56
    formic acid 187.25
    diethyl ether 123.17
    m-xylene 45.05
    p-xylene 29.24
    chlorobenzene 86.09
    dimethyl carbonate 72.88
    n-octane 4.11
    formamide 244.78
    cyclopentanone 307.25
    2-pentanone 128.65
    anisole 84.28
    cyclopentyl methyl ether 178.85
    gamma-butyrolactone 346.97
    1-methoxy-2-propanol 270.27
    pyridine 186.11
    3-pentanone 92.61
    furfural 300.23
    n-dodecane 4.19
    diethylene glycol 242.32
    diisopropyl ether 32.19
    tert-amyl alcohol 108.6
    acetylacetone 161.0
    n-hexadecane 4.79
    acetophenone 78.74
    methyl propionate 116.28
    isopentyl acetate 67.58
    trichloroethylene 213.06
    n-nonanol 44.2
    cyclohexanol 118.82
    benzyl alcohol 82.12
    2-ethylhexanol 50.86
    isooctanol 40.09
    dipropyl ether 62.34
    1,2-dichlorobenzene 75.41
    ethyl lactate 54.42
    propylene carbonate 141.52
    n-methylformamide 232.59
    2-pentanol 83.36
    n-pentane 9.56
    1-propoxy-2-propanol 131.91
    1-methoxy-2-propyl acetate 108.2
    2-(2-methoxypropoxy) propanol 110.05
    mesitylene 30.41
    ε-caprolactone 175.09
    p-cymene 25.03
    epichlorohydrin 301.34
    1,1,1-trichloroethane 127.53
    2-aminoethanol 171.66
    morpholine-4-carbaldehyde 396.06
    sulfolane 378.08
    2,2,4-trimethylpentane 6.69
    2-methyltetrahydrofuran 264.89
    n-hexyl acetate 75.97
    isooctane 5.73
    2-(2-butoxyethoxy)ethanol 155.0
    sec-butyl acetate 46.18
    tert-butyl acetate 90.2
    decalin 7.51
    glycerin 213.59
    diglyme 250.03
    acrylic acid 135.04
    isopropyl myristate 37.46
    n-butyric acid 142.53
    acetyl acetate 80.39
    di(2-ethylhexyl) phthalate 43.48
    ethyl propionate 62.06
    nitromethane 341.12
    1,2-diethoxyethane 106.99
    benzonitrile 90.18
    trioctyl phosphate 34.13
    1-bromopropane 67.08
    gamma-valerolactone 401.94
    n-decanol 34.34
    triethyl phosphate 42.91
    4-methyl-2-pentanol 49.79
    propionitrile 105.56
    vinylene carbonate 137.76
    1,1,2-trichlorotrifluoroethane 216.03
    DMS 69.85
    cumene 20.01
    2-octanol 35.73
    2-hexanone 75.35
    octyl acetate 48.86
    limonene 38.66
    1,2-dimethoxyethane 253.02
    ethyl orthosilicate 41.37
    tributyl phosphate 40.08
    diacetone alcohol 131.05
    N,N-dimethylaniline 62.12
    acrylonitrile 135.34
    aniline 105.32
    1,3-propanediol 211.25
    bromobenzene 73.9
    dibromomethane 116.71
    1,1,2,2-tetrachloroethane 158.54
    2-methyl-cyclohexyl acetate 61.31
    tetrabutyl urea 54.61
    diisobutyl methanol 33.91
    2-phenylethanol 78.76
    styrene 29.12
    dioctyl adipate 54.36
    dimethyl sulfate 135.3
    ethyl butyrate 57.82
    methyl lactate 97.25
    butyl lactate 57.05
    diethyl carbonate 42.64
    propanediol butyl ether 94.98
    triethyl orthoformate 51.9
    p-tert-butyltoluene 25.24
    methyl 4-tert-butylbenzoate 85.88
    morpholine 363.63
    tert-butylamine 86.3
    n-dodecanol 27.48
    dimethoxymethane 259.8
    ethylene carbonate 118.18
    cyrene 128.81
    2-ethoxyethyl acetate 92.03
    2-ethylhexyl acetate 56.38
    1,2,4-trichlorobenzene 97.97
    4-methylpyridine 164.69
    dibutyl ether 46.24
    2,6-dimethyl-4-heptanol 33.91
    DEF 144.84
    dimethyl isosorbide 186.44
    tetrachloroethylene 114.82
    eugenol 94.51
    triacetin 83.12
    span 80 95.39
    1,4-butanediol 95.86
    1,1-dichloroethane 121.08
    2-methyl-1-pentanol 73.67
    methyl formate 182.0
    2-methyl-1-butanol 93.98
    n-decane 6.51
    butyronitrile 98.52
    3,7-dimethyl-1-octanol 45.96
    1-chlorooctane 26.73
    1-chlorotetradecane 13.11
    n-nonane 5.89
    undecane 5.05
    tert-butylcyclohexane 7.94
    cyclooctane 4.61
    cyclopentanol 165.5
    tetrahydropyran 227.16
    tert-amyl methyl ether 72.97
    2,5,8-trioxanonane 201.12
    1-hexene 24.67
    2-isopropoxyethanol 131.06
    2,2,2-trifluoroethanol 117.41
    methyl butyrate 77.57

    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