Mercaptoacetaldehyde

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  • Identifiers

    CAS number
    4124-63-4

    Molecular formula
    C2H4OS

    SMILES
    C(C=O)S

  • Odor profile

    Fragrance
    Sulfurous 82.49%
    Meaty 66.51%
    Onion 62.64%
    Garlic 58.3%
    Alliaceous 53.57%
    Roasted 48.62%
    Savory 46.4%
    Cooked 40.13%
    Pungent 39.33%
    Cabbage 35.63%

     

    Flavor
    Pungent 45.5%
    Mustard 41.88%
    Garlic 38.0%
    Sulfurous 37.49%
    Sulfur 35.86%
    Odorless 30.4%
    Onion 27.63%
    Formyl 24.42%
    Horseradish 23.85%
    Mousy 22.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    7.52 (neutral)

    Molecular weight
    76.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point

    • 40.89 ˚C est.

  • Synonyms

    • Mercaptoacetaldehyde
    • 4124-63-4
    • 2-sulfanylacetaldehyde
    • Acetaldehyde, mercapto-
    • UNII-M7I29I8T38
    • M7I29I8T38
    • EINECS 223-929-5
    • DTXSID10194161
    • .ALPHA.-MERCAPTOACETALDEHYDE
    • 2-mercaptoacetaldehyde
    • mercapto acetaldehyde
    • sulfhydryl acetaldehyde
    • beta-mercaptoacetaldehyde
    • alpha-mercaptoacetaldehyde
    • DTXCID20116652
    • NSC137180
    • NSC-137180
    • NS00022161
    • EN300-7121236
    • Q27283595
    • 223-929-5
    • 43049-68-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.39
    methanol 433.71
    isopropanol 79.31
    water 190.59
    ethyl acetate 32.52
    n-propanol 95.24
    acetone 186.54
    n-butanol 75.54
    acetonitrile 125.08
    DMF 349.73
    toluene 7.55
    isobutanol 53.91
    1,4-dioxane 72.04
    methyl acetate 66.15
    THF 82.25
    2-butanone 76.89
    n-pentanol 63.33
    sec-butanol 50.92
    n-hexane 5.66
    ethylene glycol 169.36
    NMP 237.06
    cyclohexane 5.33
    DMSO 380.49
    n-butyl acetate 52.96
    n-octanol 42.86
    chloroform 57.96
    n-propyl acetate 49.43
    acetic acid 459.45
    dichloromethane 74.82
    cyclohexanone 97.88
    propylene glycol 83.7
    isopropyl acetate 20.64
    DMAc 201.76
    2-ethoxyethanol 137.9
    isopentanol 54.1
    n-heptane 7.23
    ethyl formate 77.06
    1,2-dichloroethane 49.83
    n-hexanol 51.11
    2-methoxyethanol 210.72
    isobutyl acetate 30.2
    tetrachloromethane 11.65
    n-pentyl acetate 42.74
    transcutol 427.16
    n-heptanol 31.94
    ethylbenzene 9.46
    MIBK 28.17
    2-propoxyethanol 114.54
    tert-butanol 63.34
    MTBE 23.58
    2-butoxyethanol 87.14
    propionic acid 124.43
    o-xylene 9.57
    formic acid 438.54
    diethyl ether 26.52
    m-xylene 7.61
    p-xylene 15.55
    chlorobenzene 23.17
    dimethyl carbonate 24.65
    n-octane 3.73
    formamide 378.18
    cyclopentanone 113.91
    2-pentanone 47.42
    anisole 32.96
    cyclopentyl methyl ether 27.06
    gamma-butyrolactone 123.7
    1-methoxy-2-propanol 101.47
    pyridine 75.77
    3-pentanone 33.44
    furfural 199.84
    n-dodecane 3.8
    diethylene glycol 165.26
    diisopropyl ether 7.72
    tert-amyl alcohol 46.4
    acetylacetone 65.52
    n-hexadecane 3.86
    acetophenone 60.23
    methyl propionate 35.84
    isopentyl acetate 42.24
    trichloroethylene 93.1
    n-nonanol 35.72
    cyclohexanol 45.78
    benzyl alcohol 56.6
    2-ethylhexanol 33.69
    isooctanol 26.55
    dipropyl ether 27.3
    1,2-dichlorobenzene 27.6
    ethyl lactate 42.58
    propylene carbonate 64.73
    n-methylformamide 230.47
    2-pentanol 35.43
    n-pentane 5.22
    1-propoxy-2-propanol 78.6
    1-methoxy-2-propyl acetate 42.75
    2-(2-methoxypropoxy) propanol 100.04
    mesitylene 6.4
    ε-caprolactone 79.86
    p-cymene 12.23
    epichlorohydrin 88.17
    1,1,1-trichloroethane 22.01
    2-aminoethanol 161.38
    morpholine-4-carbaldehyde 219.81
    sulfolane 173.84
    2,2,4-trimethylpentane 2.82
    2-methyltetrahydrofuran 46.87
    n-hexyl acetate 55.1
    isooctane 2.29
    2-(2-butoxyethoxy)ethanol 135.02
    sec-butyl acetate 23.0
    tert-butyl acetate 22.36
    decalin 3.75
    glycerin 157.02
    diglyme 211.38
    acrylic acid 175.56
    isopropyl myristate 24.71
    n-butyric acid 100.58
    acetyl acetate 33.2
    di(2-ethylhexyl) phthalate 37.79
    ethyl propionate 28.28
    nitromethane 403.34
    1,2-diethoxyethane 74.16
    benzonitrile 66.39
    trioctyl phosphate 28.08
    1-bromopropane 18.28
    gamma-valerolactone 169.27
    n-decanol 27.75
    triethyl phosphate 24.29
    4-methyl-2-pentanol 22.13
    propionitrile 54.33
    vinylene carbonate 82.9
    1,1,2-trichlorotrifluoroethane 142.82
    DMS 43.91
    cumene 10.26
    2-octanol 23.03
    2-hexanone 56.45
    octyl acetate 33.65
    limonene 17.77
    1,2-dimethoxyethane 149.38
    ethyl orthosilicate 21.78
    tributyl phosphate 36.62
    diacetone alcohol 49.79
    N,N-dimethylaniline 32.9
    acrylonitrile 103.52
    aniline 32.55
    1,3-propanediol 153.33
    bromobenzene 14.52
    dibromomethane 40.12
    1,1,2,2-tetrachloroethane 58.22
    2-methyl-cyclohexyl acetate 39.12
    tetrabutyl urea 57.26
    diisobutyl methanol 18.77
    2-phenylethanol 45.96
    styrene 13.59
    dioctyl adipate 49.96
    dimethyl sulfate 50.56
    ethyl butyrate 40.57
    methyl lactate 49.31
    butyl lactate 56.15
    diethyl carbonate 29.58
    propanediol butyl ether 120.6
    triethyl orthoformate 30.52
    p-tert-butyltoluene 10.25
    methyl 4-tert-butylbenzoate 56.68
    morpholine 91.79
    tert-butylamine 35.81
    n-dodecanol 22.73
    dimethoxymethane 78.55
    ethylene carbonate 55.08
    cyrene 87.19
    2-ethoxyethyl acetate 61.8
    2-ethylhexyl acetate 32.46
    1,2,4-trichlorobenzene 35.95
    4-methylpyridine 60.84
    dibutyl ether 34.41
    2,6-dimethyl-4-heptanol 18.77
    DEF 76.34
    dimethyl isosorbide 109.03
    tetrachloroethylene 54.49
    eugenol 79.86
    triacetin 81.22
    span 80 88.52
    1,4-butanediol 89.14
    1,1-dichloroethane 26.91
    2-methyl-1-pentanol 49.64
    methyl formate 161.93
    2-methyl-1-butanol 50.11
    n-decane 5.22
    butyronitrile 54.51
    3,7-dimethyl-1-octanol 36.92
    1-chlorooctane 15.85
    1-chlorotetradecane 8.16
    n-nonane 5.01
    undecane 4.28
    tert-butylcyclohexane 4.14
    cyclooctane 2.05
    cyclopentanol 57.69
    tetrahydropyran 40.92
    tert-amyl methyl ether 20.36
    2,5,8-trioxanonane 173.28
    1-hexene 16.3
    2-isopropoxyethanol 81.82
    2,2,2-trifluoroethanol 158.85
    methyl butyrate 52.71

    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