Methylthioacetaldehyde

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  • Identifiers

    CAS number
    23328-62-3

    Molecular formula
    C3H6OS

    SMILES
    CSCC=O

  • Odor profile

    Fragrance
    Sulfurous 79.53%
    Onion 76.04%
    Garlic 74.3%
    Alliaceous 62.95%
    Vegetable 60.04%
    Cabbage 58.22%
    Potato 50.63%
    Savory 49.26%
    Cooked 48.55%
    Pungent 48.15%

     

    Flavor
    Garlic 71.91%
    Sulfurous 69.13%
    Onion 67.77%
    Vegetable 61.98%
    Sulfur 51.45%
    Potato 51.31%
    Mustard 50.14%
    Cabbage 48.54%
    Nutty 47.21%
    Meaty 40.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    6.0 (weak acid)

    Molecular weight
    90.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    159°C

    Flash point

    • 31.54 ˚C est.

  • Synonyms

    • 23328-62-3
    • (Methylthio)acetaldehyde
    • 2-Methylthioacetaldehyde
    • Methylthioacetaldehyde
    • Acetaldehyde, (methylthio)-
    • 2-methylsulfanylacetaldehyde
    • 2-(Methylmercapto)acetaldehyde
    • 2-(methylthio)acetaldehyde
    • Acetaldehyde, 2-(methylthio)-
    • FEMA No. 3206
    • Methylmercapto acetaldehyde
    • F0NVN68DIT
    • 2-(METHYLSULFANYL)ACETALDEHYDE
    • methylthioethanal
    • UNII-F0NVN68DIT
    • 2-[Methylthio]ethanal
    • EINECS 245-587-6
    • (methylsulfanyl)acetaldehyde
    • (2-methylsulfanyl)acetaldehyde
    • DTXSID0066876
    • 2-METHYLTHIOACETALDEHYDE [FHFI]
    • methylmercaptoacet-aldehyde
    • (2-Methylthio)acetaldehyde
    • DTXCID5036844
    • FEMA 3206
    • CHEBI:141184
    • AKOS015897532
    • DA-07870
    • NS00021890
    • C22279
    • EN300-1725331
    • Q27277486
    • 245-587-6

  • Applications

    Methylthioacetaldehyde (CAS 23328-62-3) is an aldehyde containing a methylthio group and is primarily used as an organic synthesis intermediate. In practice it is used as a precursor to introduce the methylthio moiety into molecules and to prepare sulfur-containing derivatives. In industry it is commonly evaluated for applications in fragrance and flavor chemistry as a precursor to sulfur-containing notes, in polymer and plastics chemistry as a functional aldehyde building block, and as an intermediate in cosmetics and personal care formulations. It may also serve as a synthetic intermediate in pharmaceutical manufacturing routes, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 107.84
    methanol 180.73
    isopropanol 58.58
    water 23.14
    ethyl acetate 31.04
    n-propanol 72.27
    acetone 106.56
    n-butanol 51.39
    acetonitrile 55.78
    DMF 175.59
    toluene 8.23
    isobutanol 46.12
    1,4-dioxane 84.77
    methyl acetate 43.81
    THF 137.41
    2-butanone 55.14
    n-pentanol 35.58
    sec-butanol 44.53
    n-hexane 5.11
    ethylene glycol 112.38
    NMP 247.62
    cyclohexane 10.01
    DMSO 217.24
    n-butyl acetate 45.48
    n-octanol 39.38
    chloroform 105.33
    n-propyl acetate 29.81
    acetic acid 377.43
    dichloromethane 69.68
    cyclohexanone 116.93
    propylene glycol 93.18
    isopropyl acetate 19.07
    DMAc 108.21
    2-ethoxyethanol 77.45
    isopentanol 33.56
    n-heptane 9.87
    ethyl formate 36.67
    1,2-dichloroethane 46.21
    n-hexanol 59.3
    2-methoxyethanol 143.93
    isobutyl acetate 21.51
    tetrachloromethane 19.83
    n-pentyl acetate 34.09
    transcutol 349.17
    n-heptanol 36.06
    ethylbenzene 7.95
    MIBK 21.93
    2-propoxyethanol 109.73
    tert-butanol 64.77
    MTBE 17.83
    2-butoxyethanol 75.29
    propionic acid 135.31
    o-xylene 11.53
    formic acid 188.49
    diethyl ether 16.72
    m-xylene 9.92
    p-xylene 13.18
    chlorobenzene 28.07
    dimethyl carbonate 19.04
    n-octane 3.46
    formamide 159.27
    cyclopentanone 166.22
    2-pentanone 35.42
    anisole 27.77
    cyclopentyl methyl ether 46.0
    gamma-butyrolactone 179.57
    1-methoxy-2-propanol 94.22
    pyridine 71.82
    3-pentanone 31.0
    furfural 170.75
    n-dodecane 3.4
    diethylene glycol 137.5
    diisopropyl ether 6.77
    tert-amyl alcohol 47.39
    acetylacetone 54.98
    n-hexadecane 3.66
    acetophenone 41.99
    methyl propionate 34.65
    isopentyl acetate 38.07
    trichloroethylene 118.04
    n-nonanol 34.91
    cyclohexanol 64.9
    benzyl alcohol 37.99
    2-ethylhexanol 38.48
    isooctanol 28.69
    dipropyl ether 30.12
    1,2-dichlorobenzene 36.65
    ethyl lactate 36.52
    propylene carbonate 77.46
    n-methylformamide 113.65
    2-pentanol 28.85
    n-pentane 3.72
    1-propoxy-2-propanol 87.92
    1-methoxy-2-propyl acetate 51.27
    2-(2-methoxypropoxy) propanol 97.07
    mesitylene 8.84
    ε-caprolactone 94.98
    p-cymene 16.81
    epichlorohydrin 103.06
    1,1,1-trichloroethane 43.29
    2-aminoethanol 133.16
    morpholine-4-carbaldehyde 182.39
    sulfolane 242.21
    2,2,4-trimethylpentane 3.09
    2-methyltetrahydrofuran 75.63
    n-hexyl acetate 53.4
    isooctane 2.42
    2-(2-butoxyethoxy)ethanol 125.22
    sec-butyl acetate 17.99
    tert-butyl acetate 27.69
    decalin 5.55
    glycerin 156.95
    diglyme 172.15
    acrylic acid 166.98
    isopropyl myristate 23.71
    n-butyric acid 94.88
    acetyl acetate 32.72
    di(2-ethylhexyl) phthalate 37.03
    ethyl propionate 25.03
    nitromethane 258.48
    1,2-diethoxyethane 48.1
    benzonitrile 45.88
    trioctyl phosphate 27.08
    1-bromopropane 17.14
    gamma-valerolactone 179.04
    n-decanol 26.91
    triethyl phosphate 26.45
    4-methyl-2-pentanol 17.38
    propionitrile 37.06
    vinylene carbonate 77.0
    1,1,2-trichlorotrifluoroethane 167.54
    DMS 46.89
    cumene 10.28
    2-octanol 23.24
    2-hexanone 32.64
    octyl acetate 33.34
    limonene 25.4
    1,2-dimethoxyethane 78.34
    ethyl orthosilicate 24.65
    tributyl phosphate 31.4
    diacetone alcohol 60.55
    N,N-dimethylaniline 26.82
    acrylonitrile 65.89
    aniline 34.86
    1,3-propanediol 110.76
    bromobenzene 19.48
    dibromomethane 44.92
    1,1,2,2-tetrachloroethane 97.73
    2-methyl-cyclohexyl acetate 45.65
    tetrabutyl urea 46.08
    diisobutyl methanol 21.73
    2-phenylethanol 50.93
    styrene 10.38
    dioctyl adipate 48.11
    dimethyl sulfate 44.32
    ethyl butyrate 35.09
    methyl lactate 51.13
    butyl lactate 50.13
    diethyl carbonate 26.66
    propanediol butyl ether 100.58
    triethyl orthoformate 31.28
    p-tert-butyltoluene 16.06
    methyl 4-tert-butylbenzoate 65.76
    morpholine 105.37
    tert-butylamine 35.78
    n-dodecanol 21.57
    dimethoxymethane 46.18
    ethylene carbonate 52.96
    cyrene 92.39
    2-ethoxyethyl acetate 49.61
    2-ethylhexyl acetate 30.83
    1,2,4-trichlorobenzene 52.53
    4-methylpyridine 42.75
    dibutyl ether 26.67
    2,6-dimethyl-4-heptanol 21.73
    DEF 51.29
    dimethyl isosorbide 129.16
    tetrachloroethylene 81.11
    eugenol 76.74
    triacetin 77.87
    span 80 105.5
    1,4-butanediol 52.39
    1,1-dichloroethane 34.39
    2-methyl-1-pentanol 28.03
    methyl formate 70.66
    2-methyl-1-butanol 36.42
    n-decane 5.12
    butyronitrile 30.82
    3,7-dimethyl-1-octanol 35.92
    1-chlorooctane 18.08
    1-chlorotetradecane 8.73
    n-nonane 5.05
    undecane 3.99
    tert-butylcyclohexane 5.8
    cyclooctane 3.33
    cyclopentanol 92.18
    tetrahydropyran 62.41
    tert-amyl methyl ether 17.72
    2,5,8-trioxanonane 148.51
    1-hexene 12.9
    2-isopropoxyethanol 49.51
    2,2,2-trifluoroethanol 123.06
    methyl butyrate 35.27

    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