Methional diethyl acetal

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  • Identifiers

    CAS number
    16630-61-8

    Molecular formula
    C8H18O2S

    SMILES
    CCOC(CCSC)OCC

  • Odor profile

    Fragrance
    Sulfurous 74.48%
    Onion 52.53%
    Vegetable 50.73%
    Meaty 50.24%
    Potato 45.96%
    Pungent 45.96%
    Savory 42.61%
    Garlic 41.61%
    Alliaceous 41.26%
    Cabbage 41.03%

     

    Flavor
    Vegetable 55.07%
    Sulfurous 51.31%
    Green 49.17%
    Onion 40.53%
    Earthy 39.03%
    Fatty 37.95%
    Sweet 36.39%
    Sulfury 36.01%
    Fruity 34.72%
    Tomato 32.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.02 (neutral)

    Molecular weight
    178.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 229.00 to 231.00 °C. @ 760.00 mm Hg

    Flash point

    • 69.78 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • methional diethyl acetal
    • 16630-61-8
    • 1,1-Diethoxy-3-(methylthio)propane
    • 1,1-diethoxy-3-methylsulfanylpropane
    • EINECS 240-681-3
    • UNII-X22S1I598Y
    • X22S1I598Y
    • FEMA NO. 4590
    • DTXSID10168089
    • 1,1-diethoxy-3-(methylsulfanyl)propane
    • PROPANE, 1,1-DIETHOXY-3-(METHYLTHIO)-
    • PROPIONALDEHYDE, 3-(METHYLTHIO)-, DIETHYL ACETAL
    • 3-(Methylthio)propanal, 9CI
    • DTXCID6090580
    • SCHEMBL11452018
    • CHEBI:173837
    • FKAZTVDSOBDTFU-UHFFFAOYSA-N
    • 1,1-diethoxy-3-methylsulanylpropane
    • AKOS012939301
    • NS00021736
    • Q27293354

  • Applications

    Methional diethyl acetal is primarily used as an aldehyde-protecting group in organic synthesis, enabling multi-step transformations by masking the reactive aldehyde functionality of methional. It can serve as an intermediate in fragrance and flavor chemistry, acting as a masked methional that can be deprotected under processing conditions to regenerate the aldehyde functionality. The compound may be used as a processing aid or solvent-like diluent in industrial manufacturing and in coatings/inks formulations, and can function as a reactive intermediate in polymer and plastics chemistry. It may also be evaluated as a building block in fine chemical and pharmaceutical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3587.77
    methanol 4134.91
    isopropanol 2920.7
    water 7.04
    ethyl acetate 2423.95
    n-propanol 3173.07
    acetone 3079.24
    n-butanol 2852.53
    acetonitrile 3042.49
    DMF 2540.98
    toluene 2452.69
    isobutanol 2436.0
    1,4-dioxane 5174.12
    methyl acetate 2166.35
    THF 5451.04
    2-butanone 2610.01
    n-pentanol 2094.11
    sec-butanol 2957.5
    n-hexane 1663.18
    ethylene glycol 657.0
    NMP 2699.47
    cyclohexane 4207.27
    DMSO 3406.46
    n-butyl acetate 2346.54
    n-octanol 1263.58
    chloroform 12866.38
    n-propyl acetate 1931.43
    acetic acid 4137.19
    dichloromethane 9939.76
    cyclohexanone 5388.16
    propylene glycol 899.31
    isopropyl acetate 1374.72
    DMAc 2218.08
    2-ethoxyethanol 2085.24
    isopentanol 1964.4
    n-heptane 1375.44
    ethyl formate 1889.23
    1,2-dichloroethane 4870.97
    n-hexanol 2319.25
    2-methoxyethanol 2769.56
    isobutyl acetate 1173.75
    tetrachloromethane 3231.04
    n-pentyl acetate 1711.4
    transcutol 3493.15
    n-heptanol 1105.02
    ethylbenzene 1232.43
    MIBK 1029.3
    2-propoxyethanol 2201.26
    tert-butanol 2961.96
    MTBE 2392.15
    2-butoxyethanol 1380.71
    propionic acid 2588.99
    o-xylene 1245.56
    formic acid 992.64
    diethyl ether 3151.91
    m-xylene 1162.28
    p-xylene 1812.25
    chlorobenzene 3276.41
    dimethyl carbonate 529.19
    n-octane 444.53
    formamide 1084.65
    cyclopentanone 3837.39
    2-pentanone 2062.02
    anisole 1568.77
    cyclopentyl methyl ether 3081.55
    gamma-butyrolactone 3866.68
    1-methoxy-2-propanol 1926.14
    pyridine 5421.22
    3-pentanone 1657.28
    furfural 3615.2
    n-dodecane 262.15
    diethylene glycol 1286.71
    diisopropyl ether 866.07
    tert-amyl alcohol 2620.93
    acetylacetone 1622.72
    n-hexadecane 295.24
    acetophenone 1477.45
    methyl propionate 1542.25
    isopentyl acetate 1648.31
    trichloroethylene 8327.72
    n-nonanol 1037.35
    cyclohexanol 4350.28
    benzyl alcohol 1567.8
    2-ethylhexanol 1563.2
    isooctanol 869.88
    dipropyl ether 2132.5
    1,2-dichlorobenzene 2545.08
    ethyl lactate 656.14
    propylene carbonate 2132.32
    n-methylformamide 1690.68
    2-pentanol 1902.74
    n-pentane 1367.52
    1-propoxy-2-propanol 1733.75
    1-methoxy-2-propyl acetate 1188.87
    2-(2-methoxypropoxy) propanol 842.2
    mesitylene 737.16
    ε-caprolactone 3990.65
    p-cymene 807.9
    epichlorohydrin 4121.9
    1,1,1-trichloroethane 5871.16
    2-aminoethanol 1291.54
    morpholine-4-carbaldehyde 2727.52
    sulfolane 3640.38
    2,2,4-trimethylpentane 449.55
    2-methyltetrahydrofuran 5117.68
    n-hexyl acetate 1969.29
    isooctane 258.73
    2-(2-butoxyethoxy)ethanol 1250.86
    sec-butyl acetate 1135.48
    tert-butyl acetate 1166.42
    decalin 836.12
    glycerin 1016.8
    diglyme 2687.11
    acrylic acid 2027.16
    isopropyl myristate 691.22
    n-butyric acid 3515.35
    acetyl acetate 1575.45
    di(2-ethylhexyl) phthalate 571.52
    ethyl propionate 1370.19
    nitromethane 3285.49
    1,2-diethoxyethane 2138.11
    benzonitrile 2803.03
    trioctyl phosphate 460.23
    1-bromopropane 4223.8
    gamma-valerolactone 3966.79
    n-decanol 693.88
    triethyl phosphate 672.49
    4-methyl-2-pentanol 834.89
    propionitrile 2769.97
    vinylene carbonate 2300.68
    1,1,2-trichlorotrifluoroethane 3274.44
    DMS 942.99
    cumene 718.23
    2-octanol 954.1
    2-hexanone 1946.42
    octyl acetate 858.07
    limonene 1414.74
    1,2-dimethoxyethane 3448.91
    ethyl orthosilicate 711.22
    tributyl phosphate 606.67
    diacetone alcohol 1036.71
    N,N-dimethylaniline 1066.82
    acrylonitrile 2722.75
    aniline 2441.26
    1,3-propanediol 1799.65
    bromobenzene 3748.37
    dibromomethane 7873.55
    1,1,2,2-tetrachloroethane 7508.36
    2-methyl-cyclohexyl acetate 1188.56
    tetrabutyl urea 779.66
    diisobutyl methanol 777.55
    2-phenylethanol 1361.12
    styrene 1807.42
    dioctyl adipate 972.24
    dimethyl sulfate 743.03
    ethyl butyrate 1697.9
    methyl lactate 707.09
    butyl lactate 976.43
    diethyl carbonate 1075.52
    propanediol butyl ether 1120.15
    triethyl orthoformate 1223.83
    p-tert-butyltoluene 707.42
    methyl 4-tert-butylbenzoate 956.05
    morpholine 5814.87
    tert-butylamine 2385.85
    n-dodecanol 532.0
    dimethoxymethane 1681.39
    ethylene carbonate 2132.07
    cyrene 883.24
    2-ethoxyethyl acetate 1435.52
    2-ethylhexyl acetate 1429.55
    1,2,4-trichlorobenzene 2780.89
    4-methylpyridine 4556.15
    dibutyl ether 1974.08
    2,6-dimethyl-4-heptanol 777.55
    DEF 2279.39
    dimethyl isosorbide 1367.85
    tetrachloroethylene 5730.46
    eugenol 915.67
    triacetin 1333.19
    span 80 1073.17
    1,4-butanediol 925.8
    1,1-dichloroethane 5611.82
    2-methyl-1-pentanol 1633.51
    methyl formate 1252.58
    2-methyl-1-butanol 2147.52
    n-decane 482.37
    butyronitrile 3301.12
    3,7-dimethyl-1-octanol 1065.46
    1-chlorooctane 1208.2
    1-chlorotetradecane 435.75
    n-nonane 545.84
    undecane 332.77
    tert-butylcyclohexane 630.2
    cyclooctane 1041.23
    cyclopentanol 3817.92
    tetrahydropyran 7326.41
    tert-amyl methyl ether 1786.67
    2,5,8-trioxanonane 1518.63
    1-hexene 2942.31
    2-isopropoxyethanol 1387.03
    2,2,2-trifluoroethanol 1080.83
    methyl butyrate 2152.42

    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