1,1-Dimethoxy-2-methylbutane

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  • Identifiers

    CAS number
    54286-88-3

    Molecular formula
    C7H16O2

    SMILES
    CCC(C)C(OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Ethereal 85.61%
    Green 78.84%
    Fruity 71.4%
    Fermented 64.05%
    Alcoholic 63.02%
    Cognac 51.09%
    Malty 51.08%
    Cocoa 45.36%
    Apple 42.48%
    Fresh 38.37%

     

    Flavor
    Fruity 73.1%
    Green 57.41%
    Tropical 32.13%
    Sweet 31.77%
    Wine 29.04%
    Apple 27.87%
    Ethereal 27.5%
    Vegetable 26.44%
    Ether 26.02%
    Pineapple 25.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.74 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 19.33 ˚C est.

  • Synonyms

    • 1,1-Dimethoxy-2-methylbutane
    • 54286-88-3
    • DTXSID00969325
    • RefChem:213712
    • DTXCID601396880
    • SCHEMBL9790339
    • SCHEMBL27322107
    • 54286-88-3

  • Applications

    1,1-Dimethoxy-2-methylbutane (CAS 54286-88-3) is primarily used as a protected aldehyde building block in organic synthesis, representing the dimethyl acetal form of 2-methylbutanal; it is commonly employed as an aldehyde-protecting group to mask reactivity during multi-step reactions. It also serves as an intermediate in fragrance and flavor chemistry, where aldehyde functionality is temporarily masked for controlled synthesis of aroma compounds. Additionally, it can function as a solvent or reaction medium in chemical manufacturing and may be encountered as a processing intermediate in pharmaceutical and polymer syntheses under appropriate conditions. Usage is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3881.8
    methanol 4824.5
    isopropanol 2917.62
    water 24.15
    ethyl acetate 2285.24
    n-propanol 3185.63
    acetone 2305.28
    n-butanol 2907.56
    acetonitrile 3164.08
    DMF 1639.28
    toluene 981.74
    isobutanol 2531.34
    1,4-dioxane 3509.21
    methyl acetate 2057.37
    THF 3374.23
    2-butanone 2060.04
    n-pentanol 2062.24
    sec-butanol 3125.08
    n-hexane 855.29
    ethylene glycol 808.11
    NMP 1620.66
    cyclohexane 1478.79
    DMSO 1689.59
    n-butyl acetate 2260.93
    n-octanol 1141.04
    chloroform 9567.88
    n-propyl acetate 1667.58
    acetic acid 4511.16
    dichloromethane 7732.83
    cyclohexanone 2984.52
    propylene glycol 884.36
    isopropyl acetate 1320.72
    DMAc 1224.7
    2-ethoxyethanol 2411.15
    isopentanol 2424.75
    n-heptane 669.44
    ethyl formate 1767.47
    1,2-dichloroethane 3556.25
    n-hexanol 2120.86
    2-methoxyethanol 2961.46
    isobutyl acetate 1004.12
    tetrachloromethane 3384.62
    n-pentyl acetate 1465.73
    transcutol 3081.78
    n-heptanol 1172.74
    ethylbenzene 664.61
    MIBK 1076.5
    2-propoxyethanol 2259.52
    tert-butanol 3568.6
    MTBE 2875.98
    2-butoxyethanol 1571.35
    propionic acid 2556.47
    o-xylene 741.62
    formic acid 1455.36
    diethyl ether 3045.93
    m-xylene 662.59
    p-xylene 978.48
    chlorobenzene 1714.71
    dimethyl carbonate 426.21
    n-octane 274.17
    formamide 1314.28
    cyclopentanone 2444.88
    2-pentanone 1687.71
    anisole 1046.99
    cyclopentyl methyl ether 2157.08
    gamma-butyrolactone 2708.96
    1-methoxy-2-propanol 1812.82
    pyridine 2395.91
    3-pentanone 1346.51
    furfural 2267.95
    n-dodecane 155.69
    diethylene glycol 1381.01
    diisopropyl ether 974.71
    tert-amyl alcohol 3200.87
    acetylacetone 1242.21
    n-hexadecane 173.08
    acetophenone 891.04
    methyl propionate 1252.7
    isopentyl acetate 1749.97
    trichloroethylene 6416.38
    n-nonanol 883.81
    cyclohexanol 2767.23
    benzyl alcohol 993.38
    2-ethylhexanol 1454.64
    isooctanol 980.01
    dipropyl ether 1554.41
    1,2-dichlorobenzene 1557.82
    ethyl lactate 613.54
    propylene carbonate 1685.59
    n-methylformamide 1489.13
    2-pentanol 2176.8
    n-pentane 845.53
    1-propoxy-2-propanol 1711.35
    1-methoxy-2-propyl acetate 1077.96
    2-(2-methoxypropoxy) propanol 726.16
    mesitylene 524.32
    ε-caprolactone 2635.58
    p-cymene 653.48
    epichlorohydrin 3118.05
    1,1,1-trichloroethane 4471.22
    2-aminoethanol 1446.7
    morpholine-4-carbaldehyde 1825.45
    sulfolane 2601.59
    2,2,4-trimethylpentane 476.38
    2-methyltetrahydrofuran 3610.79
    n-hexyl acetate 1686.53
    isooctane 319.66
    2-(2-butoxyethoxy)ethanol 1097.65
    sec-butyl acetate 1089.44
    tert-butyl acetate 1411.19
    decalin 465.74
    glycerin 1030.2
    diglyme 2272.07
    acrylic acid 2002.8
    isopropyl myristate 540.68
    n-butyric acid 3409.96
    acetyl acetate 1301.53
    di(2-ethylhexyl) phthalate 416.25
    ethyl propionate 1173.59
    nitromethane 3568.17
    1,2-diethoxyethane 1747.52
    benzonitrile 1648.09
    trioctyl phosphate 396.84
    1-bromopropane 2772.35
    gamma-valerolactone 2687.92
    n-decanol 571.01
    triethyl phosphate 552.25
    4-methyl-2-pentanol 1058.8
    propionitrile 2455.44
    vinylene carbonate 1698.66
    1,1,2-trichlorotrifluoroethane 2681.05
    DMS 694.3
    cumene 541.35
    2-octanol 957.46
    2-hexanone 1503.95
    octyl acetate 674.2
    limonene 1051.5
    1,2-dimethoxyethane 3071.57
    ethyl orthosilicate 620.77
    tributyl phosphate 485.67
    diacetone alcohol 1256.14
    N,N-dimethylaniline 667.71
    acrylonitrile 2367.76
    aniline 1248.91
    1,3-propanediol 2122.02
    bromobenzene 1831.98
    dibromomethane 5427.35
    1,1,2,2-tetrachloroethane 5183.17
    2-methyl-cyclohexyl acetate 945.1
    tetrabutyl urea 491.83
    diisobutyl methanol 824.4
    2-phenylethanol 987.09
    styrene 820.31
    dioctyl adipate 609.05
    dimethyl sulfate 616.14
    ethyl butyrate 1438.91
    methyl lactate 579.47
    butyl lactate 895.77
    diethyl carbonate 873.2
    propanediol butyl ether 1065.07
    triethyl orthoformate 997.05
    p-tert-butyltoluene 616.56
    methyl 4-tert-butylbenzoate 798.38
    morpholine 3622.04
    tert-butylamine 2688.18
    n-dodecanol 418.24
    dimethoxymethane 1256.62
    ethylene carbonate 1531.07
    cyrene 668.99
    2-ethoxyethyl acetate 1208.49
    2-ethylhexyl acetate 1410.42
    1,2,4-trichlorobenzene 1758.01
    4-methylpyridine 2182.7
    dibutyl ether 1355.25
    2,6-dimethyl-4-heptanol 824.4
    DEF 1676.47
    dimethyl isosorbide 1125.94
    tetrachloroethylene 4646.78
    eugenol 755.11
    triacetin 911.9
    span 80 775.41
    1,4-butanediol 1115.6
    1,1-dichloroethane 4222.52
    2-methyl-1-pentanol 1781.86
    methyl formate 1276.53
    2-methyl-1-butanol 2458.61
    n-decane 288.98
    butyronitrile 2849.16
    3,7-dimethyl-1-octanol 1052.92
    1-chlorooctane 888.4
    1-chlorotetradecane 306.78
    n-nonane 335.98
    undecane 196.57
    tert-butylcyclohexane 495.42
    cyclooctane 465.56
    cyclopentanol 2556.23
    tetrahydropyran 3904.9
    tert-amyl methyl ether 1968.58
    2,5,8-trioxanonane 1116.16
    1-hexene 1675.45
    2-isopropoxyethanol 1650.61
    2,2,2-trifluoroethanol 1397.45
    methyl butyrate 1783.61

    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