1-Ethoxy-1-(3-methylbutoxy)-3-methylbutane

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  • Identifiers

    CAS number
    238757-35-2

    Molecular formula
    C12H26O2

    SMILES
    CCOC(CC(C)C)OCCC(C)C

  • Odor profile

    Fragrance
    Green 95.21%
    Alcoholic 75.87%
    Ethereal 72.19%
    Fermented 69.66%
    Cognac 65.95%
    Cocoa 62.55%
    Malty 57.8%
    Fruity 55.8%
    Apple 39.12%
    Vegetable 36.29%

     

    Flavor
    Fruity 70.22%
    Green 64.69%
    Tropical 36.14%
    Ethereal 34.0%
    Fermented 28.69%
    Pineapple 27.22%
    Fatty 27.08%
    Oily 26.33%
    Earthy 25.34%
    Vegetable 25.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.64 (neutral)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point

    • 68.72 ˚C est.

  • Synonyms

    • 37YC22XE98
    • 1-Ethoxy-1-(3-methylbutoxy)-3-methylbutane
    • Butane, 1-ethoxy-3-methyl-1-(3-methylbutoxy)-
    • UNII-37YC22XE98
    • 238757-35-2
    • DTXSID801020865
    • NS00125860

  • Applications

    1-Ethoxy-1-(3-methylbutoxy)-3-methylbutane (CAS 238757-35-2) is used as a specialty solvent and processing aid in industrial manufacturing; in coatings, resins, and inks formulations it can function as a solvent for resins and additives; in adhesive formulations it may serve as a solvent or solubilizing component; in cleaning and degreasing formulations for maintenance and equipment it operates as a moderately polar solvent; in polymers and plastics processing it can act as a solvent or processing aid for resin systems; and it can serve as an intermediate in organic synthesis for further transformations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3279.38
    methanol 2372.74
    isopropanol 3865.89
    water 2.1
    ethyl acetate 2622.42
    n-propanol 3302.67
    acetone 3153.71
    n-butanol 3478.97
    acetonitrile 1971.1
    DMF 1879.93
    toluene 1570.41
    isobutanol 3218.45
    1,4-dioxane 4332.53
    methyl acetate 1903.93
    THF 6254.98
    2-butanone 2474.25
    n-pentanol 2465.39
    sec-butanol 4054.74
    n-hexane 3289.61
    ethylene glycol 372.42
    NMP 2547.63
    cyclohexane 5572.22
    DMSO 2237.17
    n-butyl acetate 3778.53
    n-octanol 2442.94
    chloroform 10950.92
    n-propyl acetate 2026.73
    acetic acid 3525.57
    dichloromethane 6402.14
    cyclohexanone 5863.98
    propylene glycol 953.22
    isopropyl acetate 2036.4
    DMAc 1722.23
    2-ethoxyethanol 1619.41
    isopentanol 3333.49
    n-heptane 3074.56
    ethyl formate 1644.06
    1,2-dichloroethane 3491.81
    n-hexanol 4225.13
    2-methoxyethanol 2322.95
    isobutyl acetate 1660.15
    tetrachloromethane 2622.34
    n-pentyl acetate 2360.73
    transcutol 4668.81
    n-heptanol 2079.02
    ethylbenzene 1244.19
    MIBK 1619.67
    2-propoxyethanol 2718.13
    tert-butanol 5417.4
    MTBE 4002.37
    2-butoxyethanol 1937.25
    propionic acid 2572.55
    o-xylene 1196.28
    formic acid 595.93
    diethyl ether 3075.17
    m-xylene 1162.22
    p-xylene 2007.32
    chlorobenzene 2470.11
    dimethyl carbonate 521.06
    n-octane 985.84
    formamide 524.67
    cyclopentanone 4063.35
    2-pentanone 2371.67
    anisole 1346.53
    cyclopentyl methyl ether 3566.72
    gamma-butyrolactone 3741.52
    1-methoxy-2-propanol 2148.49
    pyridine 3024.74
    3-pentanone 1835.49
    furfural 2695.6
    n-dodecane 579.88
    diethylene glycol 1257.6
    diisopropyl ether 1618.02
    tert-amyl alcohol 4751.3
    acetylacetone 2000.49
    n-hexadecane 644.9
    acetophenone 1359.26
    methyl propionate 1482.22
    isopentyl acetate 3402.33
    trichloroethylene 6423.94
    n-nonanol 2004.7
    cyclohexanol 5565.21
    benzyl alcohol 1259.47
    2-ethylhexanol 3251.56
    isooctanol 1744.84
    dipropyl ether 3264.93
    1,2-dichlorobenzene 2238.4
    ethyl lactate 873.49
    propylene carbonate 2844.23
    n-methylformamide 1020.85
    2-pentanol 3244.14
    n-pentane 2041.65
    1-propoxy-2-propanol 3045.74
    1-methoxy-2-propyl acetate 1990.33
    2-(2-methoxypropoxy) propanol 1411.01
    mesitylene 961.99
    ε-caprolactone 4544.17
    p-cymene 1230.04
    epichlorohydrin 3529.57
    1,1,1-trichloroethane 5790.24
    2-aminoethanol 920.33
    morpholine-4-carbaldehyde 2255.95
    sulfolane 3987.4
    2,2,4-trimethylpentane 1020.79
    2-methyltetrahydrofuran 5639.38
    n-hexyl acetate 3624.8
    isooctane 764.2
    2-(2-butoxyethoxy)ethanol 1980.75
    sec-butyl acetate 1582.62
    tert-butyl acetate 2282.67
    decalin 1565.18
    glycerin 918.44
    diglyme 3175.73
    acrylic acid 1661.12
    isopropyl myristate 1482.92
    n-butyric acid 4830.61
    acetyl acetate 1784.19
    di(2-ethylhexyl) phthalate 946.36
    ethyl propionate 1578.87
    nitromethane 2778.53
    1,2-diethoxyethane 2462.64
    benzonitrile 2039.24
    trioctyl phosphate 918.44
    1-bromopropane 3710.91
    gamma-valerolactone 4082.09
    n-decanol 1443.56
    triethyl phosphate 1003.1
    4-methyl-2-pentanol 1769.54
    propionitrile 2109.09
    vinylene carbonate 2247.1
    1,1,2-trichlorotrifluoroethane 2953.02
    DMS 1410.64
    cumene 1007.51
    2-octanol 1836.16
    2-hexanone 2311.18
    octyl acetate 1766.07
    limonene 2310.96
    1,2-dimethoxyethane 3227.72
    ethyl orthosilicate 1099.09
    tributyl phosphate 1160.12
    diacetone alcohol 2001.2
    N,N-dimethylaniline 1095.5
    acrylonitrile 1710.74
    aniline 1651.85
    1,3-propanediol 1789.4
    bromobenzene 2867.3
    dibromomethane 5979.16
    1,1,2,2-tetrachloroethane 6725.64
    2-methyl-cyclohexyl acetate 2023.56
    tetrabutyl urea 1335.16
    diisobutyl methanol 1802.34
    2-phenylethanol 1515.34
    styrene 1407.46
    dioctyl adipate 1705.42
    dimethyl sulfate 779.7
    ethyl butyrate 2433.67
    methyl lactate 814.39
    butyl lactate 1708.49
    diethyl carbonate 1428.59
    propanediol butyl ether 1954.89
    triethyl orthoformate 1915.82
    p-tert-butyltoluene 1197.93
    methyl 4-tert-butylbenzoate 1505.43
    morpholine 4618.7
    tert-butylamine 4314.59
    n-dodecanol 1148.2
    dimethoxymethane 1252.38
    ethylene carbonate 2303.27
    cyrene 1064.1
    2-ethoxyethyl acetate 1771.4
    2-ethylhexyl acetate 2866.95
    1,2,4-trichlorobenzene 2541.95
    4-methylpyridine 3161.68
    dibutyl ether 3514.59
    2,6-dimethyl-4-heptanol 1802.34
    DEF 2087.58
    dimethyl isosorbide 2218.41
    tetrachloroethylene 4584.67
    eugenol 1200.35
    triacetin 2124.2
    span 80 2008.41
    1,4-butanediol 761.05
    1,1-dichloroethane 4967.15
    2-methyl-1-pentanol 2407.89
    methyl formate 807.84
    2-methyl-1-butanol 3117.36
    n-decane 1121.36
    butyronitrile 3094.18
    3,7-dimethyl-1-octanol 2290.23
    1-chlorooctane 2185.59
    1-chlorotetradecane 933.93
    n-nonane 1334.08
    undecane 739.88
    tert-butylcyclohexane 1419.02
    cyclooctane 1667.79
    cyclopentanol 4359.36
    tetrahydropyran 6893.93
    tert-amyl methyl ether 2798.88
    2,5,8-trioxanonane 1928.33
    1-hexene 3957.69
    2-isopropoxyethanol 1478.82
    2,2,2-trifluoroethanol 930.24
    methyl butyrate 2368.98

    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