4-(Methylthio)butanal

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  • Identifiers

    CAS number
    42919-64-2

    Molecular formula
    C5H10OS

    SMILES
    CSCCCC=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 69.42%
    Vegetable 65.17%
    Onion 60.13%
    Cabbage 58.14%
    Garlic 57.96%
    Potato 52.17%
    Alliaceous 49.85%
    Cheesy 49.53%
    Meaty 48.19%
    Savory 46.36%

     

    Flavor
    Vegetable 61.57%
    Sulfurous 50.32%
    Onion 50.22%
    Green 48.24%
    Potato 47.4%
    Earthy 47.27%
    Garlic 46.18%
    Tomato 44.91%
    Fatty 38.02%
    Cabbage 33.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.92 (weak acid)

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 112.00 to 115.00 °C. @ 20.00 mm Hg

    Flash point

    • 62.42 ˚C est.

  • Synonyms

    • 4-(Methylthio)butanal
    • 42919-64-2
    • 4-(Methylthio)butyraldehyde
    • 4-(methylsulfanyl)butanal
    • 4-methylsulfanylbutanal
    • FEMA No. 3414
    • Butanal, 4-(methylthio)-
    • gamma-(Methylthio)butyraldehyde
    • gamma-(Methylmercapto)butyraldehyde
    • UNII-665I2LWS8I
    • 665I2LWS8I
    • EINECS 256-001-3
    • 4-methyl thiobutyraldehyde
    • DTXSID40195565
    • 4-(METHYLTHIO)BUTANAL [FHFI]
    • .GAMMA.-(METHYLTHIO)BUTYRALDEHYDE
    • .GAMMA.-(METHYLMERCAPTO)BUTYRALDEHYDE
    • 4-methylsulanylbutanal
    • 4-(methylthio) butanal
    • 4-(Methylthio)-Butanal
    • Butyraldehyde, 4(methylthio)
    • SCHEMBL442540
    • FEMA 3414
    • DTXCID80118056
    • CHEBI:173453
    • RZBUXNXJKZHGLL-UHFFFAOYSA-N
    • AKOS026744253
    • NS00022185
    • EN300-173821
    • Q27263951

  • Applications

    4-(Methylthio)butanal (CAS 42919-64-2) is commonly used as a fragrance intermediate and odorant precursor, enabling the synthesis of sulfur-containing aroma notes for perfumes and consumer fragrance products. It may also serve as a starting material in cosmetics and personal care formulations where aroma contributes to consumer perception. In industrial manufacturing, it functions as a synthetic building block for sulfur-containing specialty chemicals and for further derivatization toward aroma- or polymer-grade compounds. In the field of polymers and plastics, it can be used as a reactive intermediate for preparing sulfur-functionalized monomers or short oligomers. For coatings and inks, it may be employed as an odorant additive or as a precursor in fragrance-enhanced formulations. In pharmaceutical R&D, it can act as a synthetic intermediate in the development of sulfur-containing molecules, albeit with applicability limited to research and development contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1146.13
    methanol 1096.99
    isopropanol 738.13
    water 1.48
    ethyl acetate 928.7
    n-propanol 737.65
    acetone 2420.1
    n-butanol 745.18
    acetonitrile 992.74
    DMF 1259.46
    toluene 259.53
    isobutanol 475.65
    1,4-dioxane 1337.46
    methyl acetate 774.52
    THF 2423.0
    2-butanone 1181.67
    n-pentanol 414.91
    sec-butanol 493.03
    n-hexane 64.25
    ethylene glycol 230.15
    NMP 1492.61
    cyclohexane 170.38
    DMSO 2724.27
    n-butyl acetate 1027.89
    n-octanol 245.39
    chloroform 1558.98
    n-propyl acetate 608.71
    acetic acid 1561.88
    dichloromethane 1735.9
    cyclohexanone 2295.06
    propylene glycol 269.71
    isopropyl acetate 497.17
    DMAc 609.99
    2-ethoxyethanol 552.11
    isopentanol 551.84
    n-heptane 89.9
    ethyl formate 625.43
    1,2-dichloroethane 1163.79
    n-hexanol 572.64
    2-methoxyethanol 1043.71
    isobutyl acetate 343.54
    tetrachloromethane 273.22
    n-pentyl acetate 492.45
    transcutol 3076.95
    n-heptanol 216.77
    ethylbenzene 137.38
    MIBK 467.52
    2-propoxyethanol 796.57
    tert-butanol 729.97
    MTBE 434.18
    2-butoxyethanol 425.6
    propionic acid 791.61
    o-xylene 181.86
    formic acid 374.72
    diethyl ether 604.78
    m-xylene 200.96
    p-xylene 204.33
    chlorobenzene 586.25
    dimethyl carbonate 182.17
    n-octane 29.68
    formamide 569.82
    cyclopentanone 2706.5
    2-pentanone 1092.08
    anisole 329.96
    cyclopentyl methyl ether 934.41
    gamma-butyrolactone 2361.32
    1-methoxy-2-propanol 731.98
    pyridine 1244.78
    3-pentanone 595.83
    furfural 1723.55
    n-dodecane 23.18
    diethylene glycol 613.27
    diisopropyl ether 160.35
    tert-amyl alcohol 455.24
    acetylacetone 1130.2
    n-hexadecane 27.11
    acetophenone 384.85
    methyl propionate 571.98
    isopentyl acetate 733.62
    trichloroethylene 2385.28
    n-nonanol 202.85
    cyclohexanol 801.44
    benzyl alcohol 306.11
    2-ethylhexanol 327.16
    isooctanol 170.65
    dipropyl ether 464.71
    1,2-dichlorobenzene 521.17
    ethyl lactate 205.59
    propylene carbonate 968.42
    n-methylformamide 807.12
    2-pentanol 437.93
    n-pentane 59.18
    1-propoxy-2-propanol 674.23
    1-methoxy-2-propyl acetate 669.33
    2-(2-methoxypropoxy) propanol 414.32
    mesitylene 138.0
    ε-caprolactone 1405.95
    p-cymene 156.97
    epichlorohydrin 1777.79
    1,1,1-trichloroethane 1041.89
    2-aminoethanol 402.71
    morpholine-4-carbaldehyde 1351.98
    sulfolane 2668.16
    2,2,4-trimethylpentane 29.06
    2-methyltetrahydrofuran 1684.84
    n-hexyl acetate 609.35
    isooctane 26.79
    2-(2-butoxyethoxy)ethanol 651.89
    sec-butyl acetate 333.02
    tert-butyl acetate 543.78
    decalin 58.95
    glycerin 365.56
    diglyme 1212.16
    acrylic acid 687.79
    isopropyl myristate 207.1
    n-butyric acid 1214.12
    acetyl acetate 540.26
    di(2-ethylhexyl) phthalate 186.69
    ethyl propionate 392.64
    nitromethane 2217.94
    1,2-diethoxyethane 911.75
    benzonitrile 645.5
    trioctyl phosphate 150.69
    1-bromopropane 591.03
    gamma-valerolactone 2411.25
    n-decanol 147.57
    triethyl phosphate 195.03
    4-methyl-2-pentanol 209.88
    propionitrile 640.2
    vinylene carbonate 832.41
    1,1,2-trichlorotrifluoroethane 1070.87
    DMS 410.37
    cumene 102.09
    2-octanol 172.82
    2-hexanone 677.36
    octyl acetate 262.65
    limonene 295.4
    1,2-dimethoxyethane 884.88
    ethyl orthosilicate 191.87
    tributyl phosphate 222.01
    diacetone alcohol 615.01
    N,N-dimethylaniline 203.33
    acrylonitrile 882.91
    aniline 444.81
    1,3-propanediol 601.49
    bromobenzene 555.38
    dibromomethane 1082.58
    1,1,2,2-tetrachloroethane 1488.06
    2-methyl-cyclohexyl acetate 399.68
    tetrabutyl urea 288.11
    diisobutyl methanol 211.86
    2-phenylethanol 384.49
    styrene 196.67
    dioctyl adipate 326.49
    dimethyl sulfate 341.22
    ethyl butyrate 562.98
    methyl lactate 270.28
    butyl lactate 370.56
    diethyl carbonate 300.03
    propanediol butyl ether 484.78
    triethyl orthoformate 338.15
    p-tert-butyltoluene 141.16
    methyl 4-tert-butylbenzoate 337.97
    morpholine 1540.13
    tert-butylamine 407.16
    n-dodecanol 113.17
    dimethoxymethane 567.12
    ethylene carbonate 662.12
    cyrene 407.86
    2-ethoxyethyl acetate 614.9
    2-ethylhexyl acetate 554.59
    1,2,4-trichlorobenzene 597.52
    4-methylpyridine 985.19
    dibutyl ether 425.9
    2,6-dimethyl-4-heptanol 211.86
    DEF 815.17
    dimethyl isosorbide 805.32
    tetrachloroethylene 1086.14
    eugenol 355.81
    triacetin 531.78
    span 80 459.15
    1,4-butanediol 233.05
    1,1-dichloroethane 1098.67
    2-methyl-1-pentanol 318.24
    methyl formate 590.98
    2-methyl-1-butanol 445.97
    n-decane 40.44
    butyronitrile 799.45
    3,7-dimethyl-1-octanol 250.19
    1-chlorooctane 185.2
    1-chlorotetradecane 68.77
    n-nonane 41.98
    undecane 29.51
    tert-butylcyclohexane 50.75
    cyclooctane 45.06
    cyclopentanol 930.08
    tetrahydropyran 1655.02
    tert-amyl methyl ether 308.3
    2,5,8-trioxanonane 761.18
    1-hexene 239.8
    2-isopropoxyethanol 373.49
    2,2,2-trifluoroethanol 388.5
    methyl butyrate 593.65

    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