1-Isobutoxy-1-ethoxy-2-methylpropane

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  • Identifiers

    CAS number
    1401305-82-5

    Molecular formula
    C10H22O2

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

  • Odor profile

    Fragrance
    Green 94.06%
    Ethereal 85.19%
    Alcoholic 82.08%
    Fermented 76.28%
    Malty 65.46%
    Cocoa 61.17%
    Cognac 60.0%
    Apple 33.72%
    Fruity 29.34%
    Nutty 25.87%

     

    Flavor
    Fruity 61.62%
    Green 47.24%
    Tropical 34.01%
    Sweet 29.25%
    Ethereal 26.95%
    Pineapple 26.4%
    Vegetable 25.35%
    Ether 24.65%
    Wine 24.41%
    Alcoholic 24.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.09 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

    Flash point

    • 44.12 ˚C est.

  • Synonyms

    • U6Q3X367BH
    • 1-Isobutoxy-1-ethoxy-2-methylpropane
    • Propane, 1-ethoxy-2-methyl-1-(2-methylpropoxy)-
    • UNII-U6Q3X367BH
    • 1401305-82-5
    • DTXSID601020869
    • 1-Ethoxy-1-isobutoxy-2-methylpropane
    • NS00125676

  • Applications

    1-Isobutoxy-1-ethoxy-2-methylpropane (CAS 1401305-82-5) is primarily used as an organic solvent and processing medium in industrial settings; it is commonly evaluated as a solvent or intermediate in chemical syntheses for coatings, inks, and adhesives; it may serve as a processing aid in polymer and plastics manufacturing and formulation; it is relevant to electronics applications as a solvent or carrier in photoresist and cleaning formulations; it may also be used as a solvent or carrier in cosmetics and personal care formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4685.36
    methanol 4226.01
    isopropanol 4040.91
    water 5.46
    ethyl acetate 2759.43
    n-propanol 4033.49
    acetone 2911.23
    n-butanol 4220.23
    acetonitrile 2688.46
    DMF 2140.85
    toluene 2307.27
    isobutanol 3557.95
    1,4-dioxane 4465.21
    methyl acetate 2144.95
    THF 5160.64
    2-butanone 2953.89
    n-pentanol 3584.62
    sec-butanol 4623.51
    n-hexane 3567.26
    ethylene glycol 540.44
    NMP 2190.54
    cyclohexane 4418.13
    DMSO 1901.08
    n-butyl acetate 4875.23
    n-octanol 2983.12
    chloroform 12590.85
    n-propyl acetate 2797.81
    acetic acid 3631.12
    dichloromethane 8942.36
    cyclohexanone 4794.84
    propylene glycol 956.38
    isopropyl acetate 2188.81
    DMAc 2144.57
    2-ethoxyethanol 2793.74
    isopentanol 3975.31
    n-heptane 3285.29
    ethyl formate 2229.26
    1,2-dichloroethane 4036.77
    n-hexanol 5023.15
    2-methoxyethanol 3224.01
    isobutyl acetate 2124.22
    tetrachloromethane 3441.82
    n-pentyl acetate 2948.44
    transcutol 4695.86
    n-heptanol 2772.83
    ethylbenzene 2009.49
    MIBK 1823.59
    2-propoxyethanol 3478.54
    tert-butanol 4677.23
    MTBE 4650.42
    2-butoxyethanol 2779.53
    propionic acid 2441.24
    o-xylene 1583.76
    formic acid 855.63
    diethyl ether 3985.48
    m-xylene 1586.35
    p-xylene 3032.83
    chlorobenzene 2625.6
    dimethyl carbonate 552.26
    n-octane 1121.56
    formamide 807.77
    cyclopentanone 3273.39
    2-pentanone 2570.06
    anisole 2123.16
    cyclopentyl methyl ether 3384.9
    gamma-butyrolactone 3103.09
    1-methoxy-2-propanol 2432.22
    pyridine 3644.65
    3-pentanone 1822.39
    furfural 2832.45
    n-dodecane 608.25
    diethylene glycol 1575.42
    diisopropyl ether 1731.37
    tert-amyl alcohol 4860.23
    acetylacetone 1822.49
    n-hexadecane 674.78
    acetophenone 1885.58
    methyl propionate 1584.91
    isopentyl acetate 4225.17
    trichloroethylene 7165.43
    n-nonanol 2434.3
    cyclohexanol 4755.98
    benzyl alcohol 1937.47
    2-ethylhexanol 4126.8
    isooctanol 2395.87
    dipropyl ether 3958.11
    1,2-dichlorobenzene 2332.81
    ethyl lactate 1082.21
    propylene carbonate 2476.0
    n-methylformamide 1352.5
    2-pentanol 3447.86
    n-pentane 2392.64
    1-propoxy-2-propanol 3322.12
    1-methoxy-2-propyl acetate 2025.63
    2-(2-methoxypropoxy) propanol 1582.97
    mesitylene 1138.31
    ε-caprolactone 4283.05
    p-cymene 1828.89
    epichlorohydrin 3990.79
    1,1,1-trichloroethane 5696.38
    2-aminoethanol 1289.32
    morpholine-4-carbaldehyde 2618.37
    sulfolane 2761.56
    2,2,4-trimethylpentane 1124.79
    2-methyltetrahydrofuran 5482.73
    n-hexyl acetate 3807.73
    isooctane 787.29
    2-(2-butoxyethoxy)ethanol 2120.46
    sec-butyl acetate 2103.67
    tert-butyl acetate 2196.37
    decalin 1596.7
    glycerin 946.06
    diglyme 4159.87
    acrylic acid 1728.21
    isopropyl myristate 1388.27
    n-butyric acid 4382.08
    acetyl acetate 1670.96
    di(2-ethylhexyl) phthalate 1009.17
    ethyl propionate 1991.73
    nitromethane 2861.75
    1,2-diethoxyethane 3079.84
    benzonitrile 2886.25
    trioctyl phosphate 969.63
    1-bromopropane 4517.9
    gamma-valerolactone 3909.81
    n-decanol 1644.5
    triethyl phosphate 1188.98
    4-methyl-2-pentanol 2016.64
    propionitrile 2791.88
    vinylene carbonate 2243.93
    1,1,2-trichlorotrifluoroethane 3172.19
    DMS 1185.8
    cumene 1490.8
    2-octanol 2381.57
    2-hexanone 3070.24
    octyl acetate 1765.15
    limonene 2770.32
    1,2-dimethoxyethane 4955.88
    ethyl orthosilicate 1420.13
    tributyl phosphate 1174.92
    diacetone alcohol 1823.61
    N,N-dimethylaniline 1636.09
    acrylonitrile 2373.1
    aniline 1933.07
    1,3-propanediol 2182.98
    bromobenzene 2990.1
    dibromomethane 7573.77
    1,1,2,2-tetrachloroethane 6763.01
    2-methyl-cyclohexyl acetate 2387.44
    tetrabutyl urea 1282.71
    diisobutyl methanol 2080.04
    2-phenylethanol 2117.65
    styrene 2155.68
    dioctyl adipate 1707.83
    dimethyl sulfate 662.67
    ethyl butyrate 3108.96
    methyl lactate 783.72
    butyl lactate 1844.79
    diethyl carbonate 1928.46
    propanediol butyl ether 2151.08
    triethyl orthoformate 2461.54
    p-tert-butyltoluene 1635.92
    methyl 4-tert-butylbenzoate 1583.91
    morpholine 5130.47
    tert-butylamine 4149.85
    n-dodecanol 1249.38
    dimethoxymethane 1579.83
    ethylene carbonate 2192.75
    cyrene 1156.27
    2-ethoxyethyl acetate 2129.84
    2-ethylhexyl acetate 3581.21
    1,2,4-trichlorobenzene 2565.33
    4-methylpyridine 4125.65
    dibutyl ether 3653.73
    2,6-dimethyl-4-heptanol 2080.04
    DEF 2570.38
    dimethyl isosorbide 2115.57
    tetrachloroethylene 5135.95
    eugenol 1444.86
    triacetin 1810.73
    span 80 1836.18
    1,4-butanediol 1285.98
    1,1-dichloroethane 5381.75
    2-methyl-1-pentanol 3468.03
    methyl formate 1127.02
    2-methyl-1-butanol 3839.08
    n-decane 1148.77
    butyronitrile 4288.74
    3,7-dimethyl-1-octanol 2654.56
    1-chlorooctane 2413.83
    1-chlorotetradecane 934.27
    n-nonane 1339.05
    undecane 762.54
    tert-butylcyclohexane 1566.57
    cyclooctane 1538.45
    cyclopentanol 3680.43
    tetrahydropyran 6613.92
    tert-amyl methyl ether 3330.34
    2,5,8-trioxanonane 2072.96
    1-hexene 5201.22
    2-isopropoxyethanol 2325.77
    2,2,2-trifluoroethanol 875.16
    methyl butyrate 3199.35

    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