4-Methyl-1,3-thiazole-2-carbaldehyde

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  • Identifiers

    CAS number
    13750-68-0

    Molecular formula
    C5H5NOS

    SMILES
    CC1=CSC(=N1)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 61.89%
    Roasted 48.9%
    Meaty 47.94%
    Sulfurous 41.62%
    Green 32.78%
    Burnt 32.05%
    Coffee 31.84%
    Cooked 30.6%
    Vegetable 30.15%
    Cocoa 29.95%

     

    Flavor
    Nutty 58.64%
    Popcorn 41.03%
    Sulfur 40.74%
    Roasted 37.56%
    Cocoa 35.91%
    Roast 35.36%
    Chocolate 34.21%
    Coffee 33.37%
    Hazelnut 30.99%
    Musty 29.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.25 (weak acid)

    Molecular weight
    127.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 87.86 ˚C est.

  • Synonyms

    • 4-Methyl-1,3-thiazole-2-carbaldehyde
    • RefChem:524893
    • 627-825-4
    • 13750-68-0
    • 4-Methylthiazole-2-carbaldehyde
    • 4-Methyl-2-thiazolecarboxaldehyde
    • 2-THIAZOLECARBOXALDEHYDE, 4-METHYL-
    • 4-Methyl-1,3-thiazole-2-carboxaldehyde
    • MFCD00022450
    • 4-Methyl-thiazole-2-carbaldehyde
    • 4-Methyl-2-thiazole carboxaldehyde
    • 4-METHYLTHIAZOLE-2-CARBOXALDEHYDE
    • 4-METHYL-2-THIAZOLECARBOXALDEHYDE 97
    • 4-METHYL-2-THIAZOLECARBOXALDEHYDE 97
    • SCHEMBL475763
    • SCHEMBL2652660
    • DTXSID40401370
    • 4-METHYL-2-FORMYLTHIAZOLE
    • 4-methyl-2-thiazole-carboxaldehyde
    • SBB052289
    • AKOS011377070
    • CS-W011145
    • PB14084
    • PS-4373
    • 4-Methyl-2-thiazolecarboxaldehyde, 97%
    • BP-12649
    • SY014134
    • EN300-79711
    • 750M680
    • F065270
    • Z1037606426
    • 13750-68-0

  • Applications

    4-Methyl-1,3-thiazole-2-carbaldehyde (CAS 13750-68-0) is commonly used as a chemical intermediate in the synthesis of heterocyclic compounds, supporting pharmaceutical and agrochemical research; in the fragrance industry it may function as an odorant or fragrance precursor; in cosmetics and personal care it can appear as a fragrance ingredient; in household products it is used as a scent additive in cleaners and detergents; in polymers and coatings it serves as a building block or functional additive for specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.17
    methanol 56.75
    isopropanol 22.37
    water 5.3
    ethyl acetate 55.03
    n-propanol 24.58
    acetone 103.98
    n-butanol 22.71
    acetonitrile 63.46
    DMF 387.41
    toluene 32.03
    isobutanol 17.88
    1,4-dioxane 125.86
    methyl acetate 69.13
    THF 120.32
    2-butanone 58.74
    n-pentanol 18.52
    sec-butanol 16.43
    n-hexane 1.01
    ethylene glycol 39.82
    NMP 259.36
    cyclohexane 1.97
    DMSO 325.58
    n-butyl acetate 35.24
    n-octanol 17.25
    chloroform 72.14
    n-propyl acetate 29.43
    acetic acid 39.8
    dichloromethane 78.78
    cyclohexanone 77.75
    propylene glycol 20.07
    isopropyl acetate 31.3
    DMAc 262.45
    2-ethoxyethanol 64.21
    isopentanol 21.58
    n-heptane 2.8
    ethyl formate 48.34
    1,2-dichloroethane 63.28
    n-hexanol 24.16
    2-methoxyethanol 130.15
    isobutyl acetate 20.65
    tetrachloromethane 13.75
    n-pentyl acetate 24.21
    transcutol 183.53
    n-heptanol 14.32
    ethylbenzene 13.89
    MIBK 33.23
    2-propoxyethanol 73.7
    tert-butanol 34.1
    MTBE 23.49
    2-butoxyethanol 39.84
    propionic acid 33.26
    o-xylene 25.38
    formic acid 49.69
    diethyl ether 28.39
    m-xylene 24.43
    p-xylene 18.82
    chlorobenzene 45.59
    dimethyl carbonate 51.09
    n-octane 1.41
    formamide 81.38
    cyclopentanone 107.17
    2-pentanone 51.45
    anisole 49.67
    cyclopentyl methyl ether 47.37
    gamma-butyrolactone 127.53
    1-methoxy-2-propanol 82.68
    pyridine 82.08
    3-pentanone 43.86
    furfural 157.61
    n-dodecane 1.93
    diethylene glycol 98.71
    diisopropyl ether 10.52
    tert-amyl alcohol 24.16
    acetylacetone 91.76
    n-hexadecane 2.26
    acetophenone 51.5
    methyl propionate 60.83
    isopentyl acetate 32.09
    trichloroethylene 113.36
    n-nonanol 16.43
    cyclohexanol 26.55
    benzyl alcohol 37.93
    2-ethylhexanol 18.75
    isooctanol 12.88
    dipropyl ether 22.31
    1,2-dichlorobenzene 46.05
    ethyl lactate 28.29
    propylene carbonate 62.48
    n-methylformamide 116.81
    2-pentanol 14.98
    n-pentane 1.3
    1-propoxy-2-propanol 50.67
    1-methoxy-2-propyl acetate 55.1
    2-(2-methoxypropoxy) propanol 62.3
    mesitylene 16.17
    ε-caprolactone 62.98
    p-cymene 15.06
    epichlorohydrin 120.78
    1,1,1-trichloroethane 54.42
    2-aminoethanol 38.13
    morpholine-4-carbaldehyde 216.73
    sulfolane 173.52
    2,2,4-trimethylpentane 1.59
    2-methyltetrahydrofuran 61.17
    n-hexyl acetate 33.2
    isooctane 1.52
    2-(2-butoxyethoxy)ethanol 71.6
    sec-butyl acetate 21.64
    tert-butyl acetate 37.89
    decalin 3.08
    glycerin 56.29
    diglyme 132.97
    acrylic acid 42.74
    isopropyl myristate 19.47
    n-butyric acid 36.13
    acetyl acetate 40.35
    di(2-ethylhexyl) phthalate 23.27
    ethyl propionate 32.22
    nitromethane 155.86
    1,2-diethoxyethane 51.95
    benzonitrile 50.0
    trioctyl phosphate 16.63
    1-bromopropane 24.07
    gamma-valerolactone 156.61
    n-decanol 13.67
    triethyl phosphate 25.42
    4-methyl-2-pentanol 12.99
    propionitrile 38.95
    vinylene carbonate 68.37
    1,1,2-trichlorotrifluoroethane 103.72
    DMS 47.68
    cumene 11.77
    2-octanol 10.85
    2-hexanone 31.02
    octyl acetate 23.58
    limonene 19.49
    1,2-dimethoxyethane 116.5
    ethyl orthosilicate 22.45
    tributyl phosphate 20.95
    diacetone alcohol 57.88
    N,N-dimethylaniline 39.53
    acrylonitrile 67.9
    aniline 41.77
    1,3-propanediol 47.57
    bromobenzene 44.38
    dibromomethane 44.59
    1,1,2,2-tetrachloroethane 80.82
    2-methyl-cyclohexyl acetate 29.44
    tetrabutyl urea 32.63
    diisobutyl methanol 15.52
    2-phenylethanol 39.42
    styrene 18.32
    dioctyl adipate 29.12
    dimethyl sulfate 111.19
    ethyl butyrate 31.3
    methyl lactate 50.67
    butyl lactate 27.12
    diethyl carbonate 26.4
    propanediol butyl ether 39.95
    triethyl orthoformate 27.11
    p-tert-butyltoluene 15.29
    methyl 4-tert-butylbenzoate 47.42
    morpholine 105.4
    tert-butylamine 18.57
    n-dodecanol 11.66
    dimethoxymethane 138.8
    ethylene carbonate 51.44
    cyrene 67.01
    2-ethoxyethyl acetate 41.56
    2-ethylhexyl acetate 26.32
    1,2,4-trichlorobenzene 58.96
    4-methylpyridine 82.54
    dibutyl ether 19.75
    2,6-dimethyl-4-heptanol 15.52
    DEF 83.72
    dimethyl isosorbide 102.9
    tetrachloroethylene 54.77
    eugenol 54.92
    triacetin 42.55
    span 80 41.48
    1,4-butanediol 22.38
    1,1-dichloroethane 49.88
    2-methyl-1-pentanol 18.69
    methyl formate 106.96
    2-methyl-1-butanol 17.78
    n-decane 2.63
    butyronitrile 35.5
    3,7-dimethyl-1-octanol 19.86
    1-chlorooctane 11.93
    1-chlorotetradecane 6.77
    n-nonane 2.22
    undecane 2.24
    tert-butylcyclohexane 2.95
    cyclooctane 1.18
    cyclopentanol 32.02
    tetrahydropyran 50.34
    tert-amyl methyl ether 22.55
    2,5,8-trioxanonane 112.7
    1-hexene 5.54
    2-isopropoxyethanol 42.67
    2,2,2-trifluoroethanol 38.19
    methyl butyrate 40.94

    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