(Methylthio)acetaldehyde dimethyl acetal

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  • Identifiers

    CAS number
    40015-15-4

    Molecular formula
    C5H12O2S

    SMILES
    COC(CSC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 73.44%
    Onion 56.49%
    Vegetable 55.19%
    Meaty 51.42%
    Alliaceous 45.41%
    Potato 43.87%
    Green 43.7%
    Garlic 42.66%
    Fruity 42.65%
    Cabbage 41.85%

     

    Flavor
    Sulfurous 49.88%
    Vegetable 48.76%
    Onion 42.21%
    Green 41.73%
    Fruity 40.45%
    Meaty 36.54%
    Earthy 36.03%
    Fatty 34.42%
    Sulfury 32.86%
    Cabbage 32.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.08 (neutral)

    Molecular weight
    136.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 42.91 ˚C est.

  • Synonyms

    • 40015-15-4
    • (Methylthio)acetaldehyde dimethyl acetal
    • 1,1-dimethoxy-2-(methylthio)ethane
    • ethane, 1,1-dimethoxy-2-(methylthio)-
    • DTXSID90348544
    • RefChem:406620
    • DTXCID20299616
    • 628-705-4
    • InChI=1/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H
    • (Methylthio)acetaldehydedimethylacetal
    • 1,1-dimethoxy-2-methylsulfanylethane
    • MFCD00009848
    • 1,1-DIMETHOXY-2-(METHYLSULFANYL)ETHANE
    • 1,1-dimethoxy-2-methylsulfanyl-ethane
    • (Methylmercapto)acetaldehyde Dimethyl Acetal
    • SCHEMBL490352
    • AKOS009157082
    • AS-47747
    • SY049159
    • CS-0186106
    • M2236
    • (Methylthio)acetaldehyde dimethyl acetal, 97%
    • F15987
    • EN300-7193187
    • A824852
    • F859173
    • 40015-15-4

  • Applications

    (Methylthio)acetaldehyde dimethyl acetal (CAS 40015-15-4) is used primarily as an organic-synthesis intermediate and as a masked aldehyde, enabling selective manipulation of the aldehyde functionality while preserving the adjacent methylthio group. In practice, it is often employed as a building block in fine chemicals and pharmaceutical synthesis for sulfur-containing motifs, and in fragrance and flavor chemistry as a precursor to sulfur-bearing aroma notes or as a controlled-release source in formulations. It also finds use in cosmetics and personal care as a fragrance intermediate, and in industrial manufacturing as a specialty reagent for multi-step syntheses that generate sulfur-substituted compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1125.47
    methanol 1578.36
    isopropanol 900.22
    water 29.15
    ethyl acetate 674.58
    n-propanol 985.73
    acetone 1124.91
    n-butanol 749.54
    acetonitrile 1140.26
    DMF 1075.71
    toluene 395.43
    isobutanol 705.66
    1,4-dioxane 1282.47
    methyl acetate 748.69
    THF 1503.78
    2-butanone 811.15
    n-pentanol 483.81
    sec-butanol 871.94
    n-hexane 157.61
    ethylene glycol 510.2
    NMP 1087.79
    cyclohexane 436.08
    DMSO 1369.97
    n-butyl acetate 515.95
    n-octanol 334.47
    chloroform 3435.62
    n-propyl acetate 449.19
    acetic acid 2114.18
    dichloromethane 2617.13
    cyclohexanone 1474.16
    propylene glycol 512.57
    isopropyl acetate 375.62
    DMAc 790.92
    2-ethoxyethanol 825.18
    isopentanol 524.52
    n-heptane 190.68
    ethyl formate 563.11
    1,2-dichloroethane 1256.97
    n-hexanol 530.33
    2-methoxyethanol 1246.21
    isobutyl acetate 280.65
    tetrachloromethane 913.68
    n-pentyl acetate 403.45
    transcutol 1086.59
    n-heptanol 313.52
    ethylbenzene 201.75
    MIBK 323.85
    2-propoxyethanol 710.17
    tert-butanol 1027.49
    MTBE 660.56
    2-butoxyethanol 437.65
    propionic acid 1087.55
    o-xylene 305.81
    formic acid 750.81
    diethyl ether 722.78
    m-xylene 261.95
    p-xylene 306.69
    chlorobenzene 624.23
    dimethyl carbonate 197.03
    n-octane 69.2
    formamide 666.44
    cyclopentanone 1409.35
    2-pentanone 582.21
    anisole 373.43
    cyclopentyl methyl ether 845.64
    gamma-butyrolactone 1349.98
    1-methoxy-2-propanol 829.78
    pyridine 1051.95
    3-pentanone 511.74
    furfural 1211.93
    n-dodecane 48.86
    diethylene glycol 645.6
    diisopropyl ether 211.36
    tert-amyl alcohol 856.37
    acetylacetone 579.1
    n-hexadecane 55.31
    acetophenone 394.25
    methyl propionate 507.98
    isopentyl acetate 386.88
    trichloroethylene 2382.89
    n-nonanol 267.98
    cyclohexanol 1073.8
    benzyl alcohol 418.95
    2-ethylhexanol 352.9
    isooctanol 260.36
    dipropyl ether 427.62
    1,2-dichlorobenzene 588.62
    ethyl lactate 260.04
    propylene carbonate 736.75
    n-methylformamide 764.52
    2-pentanol 558.66
    n-pentane 181.15
    1-propoxy-2-propanol 553.71
    1-methoxy-2-propyl acetate 373.69
    2-(2-methoxypropoxy) propanol 304.47
    mesitylene 184.27
    ε-caprolactone 1106.47
    p-cymene 195.33
    epichlorohydrin 1250.44
    1,1,1-trichloroethane 1528.82
    2-aminoethanol 694.43
    morpholine-4-carbaldehyde 1007.81
    sulfolane 1573.22
    2,2,4-trimethylpentane 107.59
    2-methyltetrahydrofuran 1291.88
    n-hexyl acetate 512.99
    isooctane 62.78
    2-(2-butoxyethoxy)ethanol 416.39
    sec-butyl acetate 275.9
    tert-butyl acetate 406.53
    decalin 124.81
    glycerin 693.45
    diglyme 836.91
    acrylic acid 982.09
    isopropyl myristate 178.77
    n-butyric acid 1098.05
    acetyl acetate 466.94
    di(2-ethylhexyl) phthalate 172.68
    ethyl propionate 353.36
    nitromethane 1755.19
    1,2-diethoxyethane 472.79
    benzonitrile 655.85
    trioctyl phosphate 145.1
    1-bromopropane 843.23
    gamma-valerolactone 1399.96
    n-decanol 185.93
    triethyl phosphate 196.56
    4-methyl-2-pentanol 248.43
    propionitrile 839.87
    vinylene carbonate 697.75
    1,1,2-trichlorotrifluoroethane 1272.28
    DMS 292.67
    cumene 154.22
    2-octanol 263.23
    2-hexanone 418.72
    octyl acetate 237.1
    limonene 348.19
    1,2-dimethoxyethane 956.56
    ethyl orthosilicate 200.25
    tributyl phosphate 167.01
    diacetone alcohol 488.81
    N,N-dimethylaniline 278.53
    acrylonitrile 992.23
    aniline 574.52
    1,3-propanediol 773.3
    bromobenzene 612.91
    dibromomethane 1914.96
    1,1,2,2-tetrachloroethane 1978.14
    2-methyl-cyclohexyl acetate 335.87
    tetrabutyl urea 212.22
    diisobutyl methanol 215.39
    2-phenylethanol 352.71
    styrene 261.0
    dioctyl adipate 253.72
    dimethyl sulfate 359.7
    ethyl butyrate 381.57
    methyl lactate 350.3
    butyl lactate 295.7
    diethyl carbonate 250.39
    propanediol butyl ether 386.38
    triethyl orthoformate 290.99
    p-tert-butyltoluene 187.88
    methyl 4-tert-butylbenzoate 350.96
    morpholine 1386.15
    tert-butylamine 731.15
    n-dodecanol 144.84
    dimethoxymethane 593.8
    ethylene carbonate 598.88
    cyrene 385.98
    2-ethoxyethyl acetate 397.63
    2-ethylhexyl acetate 337.12
    1,2,4-trichlorobenzene 713.46
    4-methylpyridine 929.01
    dibutyl ether 344.67
    2,6-dimethyl-4-heptanol 215.39
    DEF 707.94
    dimethyl isosorbide 520.63
    tetrachloroethylene 1630.27
    eugenol 342.86
    triacetin 410.77
    span 80 352.57
    1,4-butanediol 398.74
    1,1-dichloroethane 1430.67
    2-methyl-1-pentanol 372.93
    methyl formate 587.64
    2-methyl-1-butanol 602.79
    n-decane 86.04
    butyronitrile 821.76
    3,7-dimethyl-1-octanol 294.88
    1-chlorooctane 267.16
    1-chlorotetradecane 102.02
    n-nonane 96.06
    undecane 61.01
    tert-butylcyclohexane 115.92
    cyclooctane 130.74
    cyclopentanol 1141.58
    tetrahydropyran 1328.06
    tert-amyl methyl ether 527.35
    2,5,8-trioxanonane 490.29
    1-hexene 340.7
    2-isopropoxyethanol 507.2
    2,2,2-trifluoroethanol 726.68
    methyl butyrate 517.1

    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