3-(Methylthio)butanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    16630-52-7

    Molecular formula
    C5H10OS

    SMILES
    CC(CC=O)SC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 64.1%
    Vegetable 62.25%
    Sulfurous 57.21%
    Onion 51.03%
    Cabbage 48.66%
    Pungent 47.64%
    Cheesy 47.31%
    Tomato 46.41%
    Potato 45.26%
    Alliaceous 43.96%

     

    Flavor
    Green 71.05%
    Vegetable 47.88%
    Sulfurous 40.81%
    Onion 40.56%
    Tomato 39.7%
    Earthy 36.69%
    Garlic 33.62%
    Potato 32.26%
    Tropical 29.0%
    Metallic 28.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.78 (weak acid)

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 63.00 to 65.00 °C. @ 10.00 mm Hg

    Flash point

    • 51.24 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol

  • Synonyms

    • 3-(Methylthio)butanal
    • 16630-52-7
    • 3-(Methylthio)butyraldehyde
    • Butanal, 3-(methylthio)-
    • 3-methylsulfanylbutanal
    • 3-(Methylsulfanyl)butanal
    • potato butyraldehyde
    • FEMA No. 3374
    • Butyraldehyde, 3-(methylthio)-
    • beta-(Methylthio)butyraldehyde
    • UNII-1B27G5W046
    • EINECS 240-678-7
    • 1B27G5W046
    • DTXSID70864696
    • 3-METHYLSULFANYLBUTYRALDEHYDE
    • (+/-)-3-(METHYLTHIO)BUTANAL
    • .BETA.-(METHYLTHIO)BUTYRALDEHYDE
    • Fema 3374
    • 3-(Methylthio)butyraldehyde; 3-Methylsulfanylbutyraldehyde; beta-(Methylthio)butyraldehyde
    • 3-Methylthiobutanal
    • MFCD00036622
    • 3-methylsulanylbutanal
    • 3-Methylthiobutyraldehyde
    • SCHEMBL71192
    • 3-(Methylsulfanyl)butanal #
    • 3-methylsulfanyl-butyraldehyde
    • DTXCID10813183
    • CHEBI:173459
    • STR05487
    • AKOS015897413
    • 3-(Methylthio)butanal, >=96%, FG
    • 3-METHYLTHIOBUTYRALDEHYDE [FHFI]
    • DB-006251
    • M1936
    • NS00053650
    • D91557
    • EN300-7099459
    • Q27252177

  • Applications

    3-(Methylthio)butanal (CAS 16630-52-7) is a key flavor compound that forms naturally from methionine during Maillard reactions and delivers a characteristic onion-like aroma; in the food industry it is used to recreate, intensify or modulate onion, garlic, roasted meat and instant food flavors, while also acting as a heat-activated flavor precursor; in beverages and snack products it deepens the sensory profile and masks metallic off-notes from sweeteners; additionally, in fragrance creation it is blended with mercaptans and pyrazines to provide roasted, warm sulfur nuances that enrich perfumes, scented candles and household cleansers; owing to its extremely low odor threshold, only parts-per-billion levels are needed, supporting clean-label trends while preserving a rich sensory experience.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.33
    methanol 280.77
    isopropanol 152.77
    water 4.23
    ethyl acetate 205.61
    n-propanol 179.18
    acetone 253.05
    n-butanol 148.02
    acetonitrile 189.47
    DMF 317.67
    toluene 94.81
    isobutanol 110.82
    1,4-dioxane 446.92
    methyl acetate 212.66
    THF 416.04
    2-butanone 196.71
    n-pentanol 97.18
    sec-butanol 125.62
    n-hexane 8.95
    ethylene glycol 108.3
    NMP 322.5
    cyclohexane 31.59
    DMSO 373.04
    n-butyl acetate 179.97
    n-octanol 79.22
    chloroform 561.2
    n-propyl acetate 113.25
    acetic acid 313.64
    dichloromethane 346.0
    cyclohexanone 368.96
    propylene glycol 124.55
    isopropyl acetate 98.42
    DMAc 203.42
    2-ethoxyethanol 181.27
    isopentanol 104.28
    n-heptane 16.92
    ethyl formate 154.4
    1,2-dichloroethane 203.51
    n-hexanol 175.11
    2-methoxyethanol 360.82
    isobutyl acetate 68.66
    tetrachloromethane 106.37
    n-pentyl acetate 100.4
    transcutol 782.13
    n-heptanol 81.38
    ethylbenzene 47.03
    MIBK 81.53
    2-propoxyethanol 286.94
    tert-butanol 166.46
    MTBE 84.41
    2-butoxyethanol 158.49
    propionic acid 245.36
    o-xylene 74.33
    formic acid 164.91
    diethyl ether 99.26
    m-xylene 72.79
    p-xylene 68.38
    chlorobenzene 184.58
    dimethyl carbonate 59.99
    n-octane 6.47
    formamide 182.83
    cyclopentanone 392.52
    2-pentanone 148.01
    anisole 126.06
    cyclopentyl methyl ether 162.8
    gamma-butyrolactone 432.74
    1-methoxy-2-propanol 227.39
    pyridine 351.85
    3-pentanone 108.94
    furfural 475.11
    n-dodecane 6.28
    diethylene glycol 274.14
    diisopropyl ether 31.08
    tert-amyl alcohol 122.13
    acetylacetone 205.48
    n-hexadecane 7.25
    acetophenone 126.25
    methyl propionate 141.7
    isopentyl acetate 140.57
    trichloroethylene 561.13
    n-nonanol 70.61
    cyclohexanol 166.75
    benzyl alcohol 117.11
    2-ethylhexanol 98.92
    isooctanol 62.32
    dipropyl ether 85.07
    1,2-dichlorobenzene 176.82
    ethyl lactate 75.66
    propylene carbonate 241.3
    n-methylformamide 225.81
    2-pentanol 93.85
    n-pentane 10.03
    1-propoxy-2-propanol 211.11
    1-methoxy-2-propyl acetate 187.71
    2-(2-methoxypropoxy) propanol 166.15
    mesitylene 46.92
    ε-caprolactone 303.14
    p-cymene 49.92
    epichlorohydrin 380.61
    1,1,1-trichloroethane 277.7
    2-aminoethanol 172.05
    morpholine-4-carbaldehyde 402.29
    sulfolane 450.75
    2,2,4-trimethylpentane 7.14
    2-methyltetrahydrofuran 284.09
    n-hexyl acetate 137.08
    isooctane 6.45
    2-(2-butoxyethoxy)ethanol 225.41
    sec-butyl acetate 71.01
    tert-butyl acetate 107.58
    decalin 13.78
    glycerin 181.96
    diglyme 374.43
    acrylic acid 232.62
    isopropyl myristate 54.51
    n-butyric acid 263.07
    acetyl acetate 137.46
    di(2-ethylhexyl) phthalate 66.43
    ethyl propionate 90.97
    nitromethane 479.61
    1,2-diethoxyethane 181.31
    benzonitrile 194.82
    trioctyl phosphate 47.27
    1-bromopropane 92.48
    gamma-valerolactone 536.76
    n-decanol 52.86
    triethyl phosphate 62.1
    4-methyl-2-pentanol 51.18
    propionitrile 152.02
    vinylene carbonate 246.21
    1,1,2-trichlorotrifluoroethane 348.43
    DMS 121.35
    cumene 36.22
    2-octanol 52.1
    2-hexanone 103.37
    octyl acetate 71.71
    limonene 72.46
    1,2-dimethoxyethane 231.13
    ethyl orthosilicate 61.5
    tributyl phosphate 59.36
    diacetone alcohol 162.86
    N,N-dimethylaniline 75.67
    acrylonitrile 229.04
    aniline 154.95
    1,3-propanediol 221.66
    bromobenzene 164.65
    dibromomethane 220.31
    1,1,2,2-tetrachloroethane 412.79
    2-methyl-cyclohexyl acetate 103.38
    tetrabutyl urea 75.53
    diisobutyl methanol 56.61
    2-phenylethanol 157.87
    styrene 62.69
    dioctyl adipate 87.78
    dimethyl sulfate 105.56
    ethyl butyrate 117.73
    methyl lactate 109.79
    butyl lactate 105.33
    diethyl carbonate 84.78
    propanediol butyl ether 170.81
    triethyl orthoformate 92.93
    p-tert-butyltoluene 51.54
    methyl 4-tert-butylbenzoate 125.08
    morpholine 434.62
    tert-butylamine 91.15
    n-dodecanol 40.42
    dimethoxymethane 145.86
    ethylene carbonate 187.45
    cyrene 144.63
    2-ethoxyethyl acetate 159.38
    2-ethylhexyl acetate 108.58
    1,2,4-trichlorobenzene 213.29
    4-methylpyridine 262.16
    dibutyl ether 68.89
    2,6-dimethyl-4-heptanol 56.61
    DEF 157.64
    dimethyl isosorbide 267.11
    tetrachloroethylene 320.82
    eugenol 139.62
    triacetin 152.59
    span 80 167.6
    1,4-butanediol 80.53
    1,1-dichloroethane 230.59
    2-methyl-1-pentanol 73.1
    methyl formate 170.53
    2-methyl-1-butanol 94.68
    n-decane 10.02
    butyronitrile 141.8
    3,7-dimethyl-1-octanol 77.38
    1-chlorooctane 46.53
    1-chlorotetradecane 19.63
    n-nonane 9.27
    undecane 7.7
    tert-butylcyclohexane 12.79
    cyclooctane 10.26
    cyclopentanol 185.43
    tetrahydropyran 307.82
    tert-amyl methyl ether 66.6
    2,5,8-trioxanonane 266.64
    1-hexene 37.02
    2-isopropoxyethanol 119.95
    2,2,2-trifluoroethanol 143.18
    methyl butyrate 124.81

    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