1-Isobutoxy-1-ethoxy-3-methylbutane

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  • Identifiers

    CAS number
    85136-40-9

    Molecular formula
    C11H24O2

    SMILES
    CCOC(CC(C)C)OCC(C)C

  • Odor profile

    Fragrance
    Green 96.59%
    Alcoholic 82.68%
    Ethereal 79.11%
    Fermented 76.05%
    Cognac 69.11%
    Cocoa 68.74%
    Malty 66.04%
    Fruity 40.5%
    Apple 34.92%
    Vegetable 34.32%

     

    Flavor
    Fruity 71.43%
    Green 56.14%
    Tropical 35.68%
    Ethereal 32.55%
    Pineapple 29.69%
    Fermented 28.2%
    Vegetable 25.4%
    Fatty 25.37%
    Oily 25.26%
    Apple 25.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.04 (weak base)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point

    • 60.99 ˚C est.

  • Synonyms

    • 1-Isobutoxy-1-ethoxy-3-methylbutane
    • 85136-40-9
    • 1-Ethoxy-1-(isobutoxy)-3-methylbutane
    • 1-ethoxy-3-methyl-1-(2-methylpropoxy)butane
    • EINECS 285-765-0
    • UNII-0778G084YC
    • 0778G084YC
    • DTXSID60868860
    • BUTANE, 1-ETHOXY-3-METHYL-1-(2-METHYLPROPOXY)-
    • DTXCID20816923
    • CDUMXRCATAAWBT-UHFFFAOYSA-N
    • isovaleraldehyde ethyl isobutyl acetal
    • NS00065094
    • Q27236273

  • Applications

    1-Isobutoxy-1-ethoxy-3-methylbutane (CAS 85136-40-9) is used primarily as an industrial solvent and processing aid in manufacturing and formulation, notably in coatings, inks, and adhesives. It also serves as a chemical intermediate for the synthesis of specialty compounds. It can function as a co-solvent or plasticizer in polymer formulations and coating systems. Additionally, it is employed as a processing solvent in cleaning formulations and other industrial processing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5134.59
    methanol 4131.71
    isopropanol 5639.0
    water 5.2
    ethyl acetate 3082.91
    n-propanol 4989.49
    acetone 3677.0
    n-butanol 5367.59
    acetonitrile 2420.48
    DMF 2437.73
    toluene 2321.18
    isobutanol 4683.94
    1,4-dioxane 5216.97
    methyl acetate 2333.68
    THF 6349.99
    2-butanone 3065.31
    n-pentanol 4087.08
    sec-butanol 6051.86
    n-hexane 5172.38
    ethylene glycol 590.59
    NMP 2731.41
    cyclohexane 7058.27
    DMSO 2178.86
    n-butyl acetate 4757.66
    n-octanol 3308.26
    chloroform 13048.3
    n-propyl acetate 2615.69
    acetic acid 4753.28
    dichloromethane 7140.04
    cyclohexanone 6578.01
    propylene glycol 1254.42
    isopropyl acetate 2634.97
    DMAc 2286.6
    2-ethoxyethanol 2469.68
    isopentanol 5198.81
    n-heptane 4088.68
    ethyl formate 2144.6
    1,2-dichloroethane 4134.9
    n-hexanol 6511.47
    2-methoxyethanol 3220.45
    isobutyl acetate 2134.41
    tetrachloromethane 3763.18
    n-pentyl acetate 2997.49
    transcutol 5136.08
    n-heptanol 3019.68
    ethylbenzene 1837.27
    MIBK 2055.52
    2-propoxyethanol 3721.54
    tert-butanol 6761.76
    MTBE 5833.14
    2-butoxyethanol 2856.55
    propionic acid 3263.94
    o-xylene 1648.74
    formic acid 949.3
    diethyl ether 4300.74
    m-xylene 1561.84
    p-xylene 2930.61
    chlorobenzene 3013.25
    dimethyl carbonate 604.09
    n-octane 1272.02
    formamide 745.52
    cyclopentanone 4162.96
    2-pentanone 2902.92
    anisole 1753.02
    cyclopentyl methyl ether 4088.03
    gamma-butyrolactone 3553.39
    1-methoxy-2-propanol 2715.51
    pyridine 4026.76
    3-pentanone 2096.15
    furfural 2904.82
    n-dodecane 713.77
    diethylene glycol 1759.24
    diisopropyl ether 2240.96
    tert-amyl alcohol 6834.7
    acetylacetone 2063.9
    n-hexadecane 786.79
    acetophenone 1697.68
    methyl propionate 1644.49
    isopentyl acetate 4252.6
    trichloroethylene 7688.45
    n-nonanol 2772.87
    cyclohexanol 7008.4
    benzyl alcohol 1721.11
    2-ethylhexanol 4542.84
    isooctanol 2507.01
    dipropyl ether 3928.12
    1,2-dichlorobenzene 2475.64
    ethyl lactate 1068.47
    propylene carbonate 2860.02
    n-methylformamide 1366.93
    2-pentanol 4815.88
    n-pentane 3164.83
    1-propoxy-2-propanol 3667.22
    1-methoxy-2-propyl acetate 2097.14
    2-(2-methoxypropoxy) propanol 1623.43
    mesitylene 1237.19
    ε-caprolactone 5197.12
    p-cymene 1594.29
    epichlorohydrin 3817.53
    1,1,1-trichloroethane 6543.42
    2-aminoethanol 1374.09
    morpholine-4-carbaldehyde 2631.79
    sulfolane 3532.84
    2,2,4-trimethylpentane 1475.15
    2-methyltetrahydrofuran 6345.81
    n-hexyl acetate 4329.06
    isooctane 1057.73
    2-(2-butoxyethoxy)ethanol 2350.97
    sec-butyl acetate 2165.77
    tert-butyl acetate 2563.43
    decalin 2095.44
    glycerin 1260.56
    diglyme 3905.48
    acrylic acid 2168.0
    isopropyl myristate 1565.85
    n-butyric acid 5995.8
    acetyl acetate 1935.57
    di(2-ethylhexyl) phthalate 1051.52
    ethyl propionate 1912.57
    nitromethane 3175.8
    1,2-diethoxyethane 2794.5
    benzonitrile 2525.26
    trioctyl phosphate 1012.6
    1-bromopropane 4547.51
    gamma-valerolactone 4430.65
    n-decanol 1900.5
    triethyl phosphate 1151.73
    4-methyl-2-pentanol 2471.32
    propionitrile 2746.25
    vinylene carbonate 2353.3
    1,1,2-trichlorotrifluoroethane 3723.7
    DMS 1461.89
    cumene 1425.42
    2-octanol 2608.43
    2-hexanone 3140.78
    octyl acetate 1936.18
    limonene 2818.68
    1,2-dimethoxyethane 4695.24
    ethyl orthosilicate 1321.04
    tributyl phosphate 1254.72
    diacetone alcohol 2224.44
    N,N-dimethylaniline 1461.43
    acrylonitrile 2108.53
    aniline 2156.46
    1,3-propanediol 2512.96
    bromobenzene 3196.34
    dibromomethane 6626.48
    1,1,2,2-tetrachloroethane 7914.58
    2-methyl-cyclohexyl acetate 2389.93
    tetrabutyl urea 1392.17
    diisobutyl methanol 2306.93
    2-phenylethanol 2103.93
    styrene 1997.12
    dioctyl adipate 1739.38
    dimethyl sulfate 810.15
    ethyl butyrate 2642.4
    methyl lactate 905.96
    butyl lactate 2019.55
    diethyl carbonate 1659.35
    propanediol butyl ether 2483.0
    triethyl orthoformate 2275.64
    p-tert-butyltoluene 1477.67
    methyl 4-tert-butylbenzoate 1628.93
    morpholine 5592.42
    tert-butylamine 5713.18
    n-dodecanol 1459.65
    dimethoxymethane 1554.55
    ethylene carbonate 2459.06
    cyrene 1184.42
    2-ethoxyethyl acetate 2051.56
    2-ethylhexyl acetate 3563.03
    1,2,4-trichlorobenzene 2779.69
    4-methylpyridine 4348.6
    dibutyl ether 3963.51
    2,6-dimethyl-4-heptanol 2306.93
    DEF 2754.81
    dimethyl isosorbide 2173.61
    tetrachloroethylene 6044.5
    eugenol 1392.54
    triacetin 2167.56
    span 80 2173.27
    1,4-butanediol 1261.53
    1,1-dichloroethane 5967.63
    2-methyl-1-pentanol 3947.18
    methyl formate 1117.04
    2-methyl-1-butanol 4794.95
    n-decane 1387.33
    butyronitrile 4188.15
    3,7-dimethyl-1-octanol 2964.04
    1-chlorooctane 2664.01
    1-chlorotetradecane 1073.4
    n-nonane 1648.88
    undecane 902.65
    tert-butylcyclohexane 1954.17
    cyclooctane 2205.48
    cyclopentanol 5115.98
    tetrahydropyran 8572.1
    tert-amyl methyl ether 4083.45
    2,5,8-trioxanonane 2166.28
    1-hexene 6127.71
    2-isopropoxyethanol 2162.54
    2,2,2-trifluoroethanol 1187.64
    methyl butyrate 3031.85

    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