4-Methyl-5-thiazoleethanol acetate

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  • Identifiers

    CAS number
    656-53-1

    Molecular formula
    C8H11NO2S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 81.1%
    Roasted 75.24%
    Meaty 65.83%
    Popcorn 38.53%
    Beefy 36.52%
    Cooked 36.49%
    Hazelnut 36.27%
    Coffee 34.47%
    Sulfurous 33.83%
    Burnt 32.53%

     

    Flavor
    Fruity 75.36%
    Sweet 51.37%
    Floral 32.63%
    Bitter 31.35%
    Tropical 29.58%
    Nutty 29.14%
    Grape 28.09%
    Green 28.09%
    Spicy 26.53%
    Fruit 26.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.32 (neutral)

    Molecular weight
    185.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 131 °C

    Boiling point

    • 117.00 to 118.00 °C. @ 6.00 mm Hg

    Flash point

    • 110.75 ˚C est.

    Solubility expt.

    • Slightly soluble in water; Soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 656-53-1
    • 2-(4-Methylthiazol-5-yl)ethyl acetate
    • 4-Methyl-5-thiazolylethyl acetate
    • 2-(4-Methyl-5-thiazolyl)ethyl acetate
    • Sulfurol acetate
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate
    • 4-Methyl-5-thiazoleethanol acetate
    • 4-Methyl-5-(2-acetoxyethyl)thiazole
    • 5-(2-Acetoxyethyl)-4-methylthiazole
    • 5-THIAZOLEETHANOL, 4-METHYL-, ACETATE (ESTER)
    • FEMA No. 3205
    • 5-Thiazoleethanol, 4-methyl-, acetate
    • 4-Methyl-5-(beta-acetoxyethyl)thiazole
    • 4-Methyl-5-thiazolylethanol acetate
    • 5-Thiazoleethanol, 4-methyl-, 5-acetate
    • 4-Methyl-5-(2-hydroxyethyl)thiazole acetate
    • 5-Thiazoleethanol, 4-methyl-, acetate ester
    • EINECS 211-515-7
    • 4-methyl-5-beta-acetoxyethyl thiazole
    • 5-(2-Hydroxyethyl)-4-methylthiazole acetate
    • 885387Q99B
    • DTXSID8060959
    • 4-METHYL-5-(.BETA.-ACETOXYETHYL)THIAZOLE
    • 4-METHYL-5-THIAZOLEETHANOL ACETATE [FHFI]
    • UNII-885387Q99B
    • MFCD00005338
    • SCHEMBL891367
    • DTXCID7044635
    • FEMA 3205
    • 4-Methyl-5-acetyloxyethylthiazole
    • CHEBI:179422
    • AKOS015900547
    • CS-W016947
    • Thiazole-5-ethanol, 4-methyl, acetate
    • 4-Methyl-5-thiazolylethyl acetate, 99%
    • AC-20414
    • DS-16592
    • 4-Methyl-5-(2-hydroxyethyl)thiazoleacetate
    • DB-054832
    • M1848
    • NS00022635
    • D91541
    • 4-Methyl-5-thiazoleethanol acetate, >=98%, FG
    • Acetic Acid 2-(4-Methyl-5-thiazolyl)ethyl Ester
    • Q27269888
    • InChI=1/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H
    • 211-515-7

  • Applications

    4-Methyl-5-thiazoleethanol acetate (656-53-1) is typically used as an aroma chemical and fragrance intermediate. In perfumery, it can function as a fragrance ingredient or odorant, contributing savory, meaty notes and the characteristic thiazole scent. It may be used as a flavor intermediate or aroma compound in flavor chemistry programs to develop savory profiles. In cosmetics and personal care, it can serve as a fragrance component in formulations such as lotions and shampoos. In household products (detergents, cleaners), it acts as an odorant to impart a pleasant scent. Additionally, it can be employed as an intermediate in industrial manufacturing for the synthesis of aroma chemicals and related esters. All use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.51
    methanol 100.91
    isopropanol 53.0
    water 5.9
    ethyl acetate 59.0
    n-propanol 52.25
    acetone 118.73
    n-butanol 41.25
    acetonitrile 73.7
    DMF 660.49
    toluene 42.85
    isobutanol 37.21
    1,4-dioxane 221.82
    methyl acetate 96.29
    THF 162.42
    2-butanone 109.0
    n-pentanol 29.68
    sec-butanol 48.33
    n-hexane 3.38
    ethylene glycol 47.64
    NMP 475.37
    cyclohexane 6.97
    DMSO 414.02
    n-butyl acetate 25.73
    n-octanol 7.6
    chloroform 260.65
    n-propyl acetate 29.76
    acetic acid 119.46
    dichloromethane 220.96
    cyclohexanone 122.57
    propylene glycol 50.22
    isopropyl acetate 33.13
    DMAc 680.77
    2-ethoxyethanol 120.44
    isopentanol 34.2
    n-heptane 1.6
    ethyl formate 56.05
    1,2-dichloroethane 128.78
    n-hexanol 16.8
    2-methoxyethanol 216.69
    isobutyl acetate 17.7
    tetrachloromethane 32.22
    n-pentyl acetate 15.62
    transcutol 263.13
    n-heptanol 8.48
    ethylbenzene 22.28
    MIBK 29.59
    2-propoxyethanol 69.11
    tert-butanol 64.05
    MTBE 55.46
    2-butoxyethanol 34.72
    propionic acid 70.71
    o-xylene 39.73
    formic acid 139.02
    diethyl ether 56.62
    m-xylene 26.77
    p-xylene 32.19
    chlorobenzene 79.34
    dimethyl carbonate 60.26
    n-octane 0.56
    formamide 254.47
    cyclopentanone 151.35
    2-pentanone 53.8
    anisole 97.47
    cyclopentyl methyl ether 69.04
    gamma-butyrolactone 168.1
    1-methoxy-2-propanol 125.28
    pyridine 184.73
    3-pentanone 64.01
    furfural 273.46
    n-dodecane 0.59
    diethylene glycol 89.3
    diisopropyl ether 12.96
    tert-amyl alcohol 60.6
    acetylacetone 83.95
    n-hexadecane 0.71
    acetophenone 95.7
    methyl propionate 73.07
    isopentyl acetate 26.54
    trichloroethylene 309.19
    n-nonanol 8.23
    cyclohexanol 46.69
    benzyl alcohol 73.37
    2-ethylhexanol 11.26
    isooctanol 7.79
    dipropyl ether 15.8
    1,2-dichlorobenzene 86.85
    ethyl lactate 28.02
    propylene carbonate 81.6
    n-methylformamide 204.35
    2-pentanol 25.28
    n-pentane 3.4
    1-propoxy-2-propanol 42.03
    1-methoxy-2-propyl acetate 52.86
    2-(2-methoxypropoxy) propanol 71.2
    mesitylene 16.2
    ε-caprolactone 101.74
    p-cymene 10.93
    epichlorohydrin 213.48
    1,1,1-trichloroethane 107.78
    2-aminoethanol 73.81
    morpholine-4-carbaldehyde 424.27
    sulfolane 266.53
    2,2,4-trimethylpentane 2.8
    2-methyltetrahydrofuran 117.31
    n-hexyl acetate 20.56
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 74.28
    sec-butyl acetate 23.72
    tert-butyl acetate 37.94
    decalin 4.67
    glycerin 113.27
    diglyme 166.93
    acrylic acid 93.09
    isopropyl myristate 10.2
    n-butyric acid 58.47
    acetyl acetate 47.81
    di(2-ethylhexyl) phthalate 19.08
    ethyl propionate 34.16
    nitromethane 285.68
    1,2-diethoxyethane 52.49
    benzonitrile 66.53
    trioctyl phosphate 8.53
    1-bromopropane 46.59
    gamma-valerolactone 270.22
    n-decanol 6.18
    triethyl phosphate 27.77
    4-methyl-2-pentanol 14.78
    propionitrile 47.18
    vinylene carbonate 90.73
    1,1,2-trichlorotrifluoroethane 244.19
    DMS 51.74
    cumene 15.93
    2-octanol 5.69
    2-hexanone 36.16
    octyl acetate 12.7
    limonene 14.6
    1,2-dimethoxyethane 201.33
    ethyl orthosilicate 24.32
    tributyl phosphate 13.86
    diacetone alcohol 57.68
    N,N-dimethylaniline 75.81
    acrylonitrile 82.13
    aniline 95.8
    1,3-propanediol 81.79
    bromobenzene 71.33
    dibromomethane 115.28
    1,1,2,2-tetrachloroethane 246.59
    2-methyl-cyclohexyl acetate 30.28
    tetrabutyl urea 22.31
    diisobutyl methanol 8.11
    2-phenylethanol 39.92
    styrene 33.35
    dioctyl adipate 23.84
    dimethyl sulfate 158.88
    ethyl butyrate 26.2
    methyl lactate 64.21
    butyl lactate 21.17
    diethyl carbonate 25.32
    propanediol butyl ether 37.23
    triethyl orthoformate 28.17
    p-tert-butyltoluene 10.72
    methyl 4-tert-butylbenzoate 46.8
    morpholine 241.91
    tert-butylamine 37.6
    n-dodecanol 4.82
    dimethoxymethane 180.89
    ethylene carbonate 62.9
    cyrene 96.87
    2-ethoxyethyl acetate 40.79
    2-ethylhexyl acetate 23.41
    1,2,4-trichlorobenzene 127.9
    4-methylpyridine 172.32
    dibutyl ether 12.22
    2,6-dimethyl-4-heptanol 8.11
    DEF 129.6
    dimethyl isosorbide 113.2
    tetrachloroethylene 159.35
    eugenol 53.7
    triacetin 48.41
    span 80 38.71
    1,4-butanediol 36.54
    1,1-dichloroethane 104.22
    2-methyl-1-pentanol 29.81
    methyl formate 132.24
    2-methyl-1-butanol 36.52
    n-decane 0.92
    butyronitrile 38.53
    3,7-dimethyl-1-octanol 10.15
    1-chlorooctane 5.02
    1-chlorotetradecane 2.47
    n-nonane 0.76
    undecane 0.71
    tert-butylcyclohexane 3.24
    cyclooctane 2.01
    cyclopentanol 53.59
    tetrahydropyran 102.87
    tert-amyl methyl ether 48.31
    2,5,8-trioxanonane 138.59
    1-hexene 11.75
    2-isopropoxyethanol 62.97
    2,2,2-trifluoroethanol 86.22
    methyl butyrate 44.11

    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