4-Methyl-5-vinylthiazole

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1759-28-0

    Molecular formula
    C6H7NS

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Nutty 74.04%
    Roasted 54.19%
    Meaty 48.39%
    Vegetable 40.22%
    Cocoa 40.02%
    Popcorn 38.24%
    Burnt 37.52%
    Musty 36.65%
    Sulfurous 35.47%
    Coffee 35.08%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.05 (neutral)

    Molecular weight
    125.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Melting point expt.

    • -15 °C

    Flash point est.
    55.33 ˚C

    Solubility expt.

    • Soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 4-METHYL-5-VINYLTHIAZOLE
    • 1759-28-0
    • Thiazole, 5-ethenyl-4-methyl-
    • vinyl sulfurol
    • 4-Methyl-5-vinyl thiazole
    • 5-Ethenyl-4-methylthiazole
    • 5-ethenyl-4-methyl-1,3-thiazole
    • Thiazole, 4-methyl-5-vinyl-
    • FEMA No. 3313
    • BRN 0107867
    • EINECS 217-160-4
    • 5-Vinyl-4-methylthiazole
    • 1G77935P78
    • DTXSID5061952
    • 4-27-00-01015 (Beilstein Handbook Reference)
    • 4-METHYL-5-VINYLTHIAZOLE [FHFI]
    • Vinylsulfurol
    • 4-methyl-5-vinyl-thiazole
    • 4-Methyl-5-vinyl-1,3-thiazole
    • UNII-1G77935P78
    • MFCD00005337
    • 5-Ethenyl-4-methyl-Thiazole
    • SCHEMBL347422
    • DTXCID9035591
    • FEMA 3313
    • 4-Methyl-5-vinylthiazole, 99%
    • 4-Methyl-5-vinyl-1,3-thiazole #
    • AKOS015842449
    • CS-W011169
    • FM35752
    • 4-Methyl-5-vinylthiazole, >=97%, FG
    • AC-19940
    • DS-11310
    • DB-044241
    • M1029
    • NS00021754
    • D70107
    • EN300-1662326
    • Q27252385
    • InChI=1/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H
    • 217-160-4

  • Applications

    4-Methyl-5-vinylthiazole (CAS 1759-28-0) is a sulfur-nitrogen heterocycle with a characteristic toasted, roasted-meat and coffee aroma, therefore widely employed as a flavoring agent to impart roast, smoky and cereal notes to instant soups, sauces, dry seasonings, processed meats, plant-based meat analogs, beer and instant coffee; it is also used in Maillard-reaction studies, as a warm tone in perfumery, as a thiazole scaffold in pharmaceutical and veterinary intermediates, and as an analytical standard for tracing naturally generated flavors in food matrices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.74
    methanol 116.55
    isopropanol 68.86
    water 1.9
    ethyl acetate 109.3
    n-propanol 91.88
    acetone 138.35
    n-butanol 90.31
    acetonitrile 89.01
    DMF 283.91
    toluene 118.18
    isobutanol 70.41
    1,4-dioxane 289.69
    methyl acetate 115.83
    THF 332.76
    2-butanone 132.19
    n-pentanol 73.47
    sec-butanol 72.24
    n-hexane 18.97
    ethylene glycol 34.49
    NMP 325.53
    cyclohexane 33.89
    DMSO 253.04
    n-butyl acetate 93.37
    n-octanol 39.06
    chloroform 321.21
    n-propyl acetate 73.85
    acetic acid 88.12
    dichloromethane 291.18
    cyclohexanone 211.88
    propylene glycol 33.17
    isopropyl acetate 74.4
    DMAc 234.68
    2-ethoxyethanol 133.2
    isopentanol 75.75
    n-heptane 22.25
    ethyl formate 79.47
    1,2-dichloroethane 183.69
    n-hexanol 82.83
    2-methoxyethanol 183.96
    isobutyl acetate 55.13
    tetrachloromethane 83.12
    n-pentyl acetate 69.71
    transcutol 344.81
    n-heptanol 45.66
    ethylbenzene 48.38
    MIBK 82.25
    2-propoxyethanol 157.12
    tert-butanol 86.72
    MTBE 90.63
    2-butoxyethanol 88.41
    propionic acid 76.54
    o-xylene 73.01
    formic acid 51.86
    diethyl ether 133.8
    m-xylene 76.29
    p-xylene 61.54
    chlorobenzene 156.08
    dimethyl carbonate 67.99
    n-octane 9.28
    formamide 87.28
    cyclopentanone 256.08
    2-pentanone 114.61
    anisole 128.32
    cyclopentyl methyl ether 166.35
    gamma-butyrolactone 250.07
    1-methoxy-2-propanol 137.94
    pyridine 212.81
    3-pentanone 103.16
    furfural 267.46
    n-dodecane 7.78
    diethylene glycol 122.24
    diisopropyl ether 47.51
    tert-amyl alcohol 82.22
    acetylacetone 149.22
    n-hexadecane 8.95
    acetophenone 108.33
    methyl propionate 102.47
    isopentyl acetate 87.71
    trichloroethylene 307.06
    n-nonanol 40.03
    cyclohexanol 90.87
    benzyl alcohol 84.89
    2-ethylhexanol 56.56
    isooctanol 39.95
    dipropyl ether 83.69
    1,2-dichlorobenzene 140.84
    ethyl lactate 44.72
    propylene carbonate 124.64
    n-methylformamide 120.37
    2-pentanol 63.91
    n-pentane 22.01
    1-propoxy-2-propanol 107.75
    1-methoxy-2-propyl acetate 116.73
    2-(2-methoxypropoxy) propanol 110.15
    mesitylene 52.59
    ε-caprolactone 166.38
    p-cymene 42.98
    epichlorohydrin 280.01
    1,1,1-trichloroethane 194.47
    2-aminoethanol 59.7
    morpholine-4-carbaldehyde 326.76
    sulfolane 311.95
    2,2,4-trimethylpentane 13.45
    2-methyltetrahydrofuran 233.46
    n-hexyl acetate 82.61
    isooctane 10.72
    2-(2-butoxyethoxy)ethanol 141.38
    sec-butyl acetate 56.34
    tert-butyl acetate 94.23
    decalin 20.65
    glycerin 61.03
    diglyme 246.54
    acrylic acid 74.83
    isopropyl myristate 50.28
    n-butyric acid 93.01
    acetyl acetate 75.77
    di(2-ethylhexyl) phthalate 51.45
    ethyl propionate 69.12
    nitromethane 183.14
    1,2-diethoxyethane 147.33
    benzonitrile 115.29
    trioctyl phosphate 36.21
    1-bromopropane 115.96
    gamma-valerolactone 317.23
    n-decanol 33.38
    triethyl phosphate 54.91
    4-methyl-2-pentanol 43.8
    propionitrile 90.13
    vinylene carbonate 135.3
    1,1,2-trichlorotrifluoroethane 180.28
    DMS 88.4
    cumene 38.23
    2-octanol 32.94
    2-hexanone 85.78
    octyl acetate 58.11
    limonene 61.56
    1,2-dimethoxyethane 205.64
    ethyl orthosilicate 54.9
    tributyl phosphate 44.66
    diacetone alcohol 99.67
    N,N-dimethylaniline 90.26
    acrylonitrile 103.11
    aniline 114.01
    1,3-propanediol 80.87
    bromobenzene 165.45
    dibromomethane 195.92
    1,1,2,2-tetrachloroethane 232.45
    2-methyl-cyclohexyl acetate 83.12
    tetrabutyl urea 61.49
    diisobutyl methanol 40.04
    2-phenylethanol 88.2
    styrene 67.95
    dioctyl adipate 68.63
    dimethyl sulfate 122.98
    ethyl butyrate 78.28
    methyl lactate 61.61
    butyl lactate 52.77
    diethyl carbonate 59.7
    propanediol butyl ether 63.97
    triethyl orthoformate 68.8
    p-tert-butyltoluene 42.86
    methyl 4-tert-butylbenzoate 96.6
    morpholine 258.14
    tert-butylamine 61.85
    n-dodecanol 28.72
    dimethoxymethane 193.12
    ethylene carbonate 111.86
    cyrene 122.27
    2-ethoxyethyl acetate 109.99
    2-ethylhexyl acetate 80.07
    1,2,4-trichlorobenzene 168.02
    4-methylpyridine 205.58
    dibutyl ether 64.78
    2,6-dimethyl-4-heptanol 40.04
    DEF 136.43
    dimethyl isosorbide 206.95
    tetrachloroethylene 165.71
    eugenol 102.07
    triacetin 94.32
    span 80 91.29
    1,4-butanediol 44.27
    1,1-dichloroethane 167.99
    2-methyl-1-pentanol 69.65
    methyl formate 100.51
    2-methyl-1-butanol 75.21
    n-decane 11.29
    butyronitrile 90.06
    3,7-dimethyl-1-octanol 45.75
    1-chlorooctane 36.91
    1-chlorotetradecane 21.47
    n-nonane 10.56
    undecane 9.06
    tert-butylcyclohexane 18.45
    cyclooctane 14.93
    cyclopentanol 101.07
    tetrahydropyran 209.98
    tert-amyl methyl ether 85.19
    2,5,8-trioxanonane 209.73
    1-hexene 46.56
    2-isopropoxyethanol 96.61
    2,2,2-trifluoroethanol 56.35
    methyl butyrate 81.48

    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

Botanical

Name CAS Botanical Proportion
Soursop, fruit Annona muricata L., fam. Annonaceae 0.05%