3-Methyl-1,1-di-isopentyloxybutane

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  • Identifiers

    CAS number
    13285-51-3

    Molecular formula
    C15H32O2

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

  • Odor profile

    Fragrance
    Green 93.42%
    Alcoholic 72.45%
    Fermented 68.6%
    Cocoa 65.27%
    Cognac 58.87%
    Ethereal 58.84%
    Malty 56.71%
    Fruity 42.67%
    Apple 37.03%
    Oily 34.53%

     

    Flavor
    Green 62.08%
    Fruity 50.57%
    Ethereal 30.65%
    Tropical 29.98%
    Fermented 27.24%
    Oily 27.15%
    Fresh 25.25%
    Waxy 24.69%
    Earthy 23.68%
    Mild 23.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.96 (neutral)

    Molecular weight
    244.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 93.55 ˚C est.

  • Synonyms

    • Diisopentyl acetal
    • 3-METHYL-1,1-DI-ISOPENTYLOXYBUTANE
    • 13285-51-3
    • Butane, 3-methyl-1,1-bis(3-methylbutoxy)-
    • 763NZ587J5
    • UNII-763NZ587J5
    • 3-Methyl-1,1-bis(3-methylbutoxy)- isovaleraldehyde
    • 3-methyl-1,1-bis(3-methylbutoxy)butane
    • DTXSID80721524
    • isovaleraldehyde diisopentyl acetal
    • NS00122746
    • Q27266443
    • 3-METHYL-1,1-BIS(3-METHYLBUTOXY)-ISOVALERALDEHYDE

  • Applications

    3-Methyl-1,1-di-isopentyloxybutane (CAS 13285-51-3) is a high-boiling, non-polar solvent used as a medium for organic synthesis and as a diluent in industrial coatings, inks, and cleaning formulations. It can function as a processing aid or plasticizer in certain polymer systems to improve flow and flexibility. As a dialkyl ether, it also serves as an intermediate in the preparation of specialty chemicals and ether derivatives. It is employed as a degreasing solvent in industrial cleaning formulations and, in research settings, as a solvent or reaction medium for laboratory synthesis and evaluation of related derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1977.78
    methanol 1168.0
    isopropanol 2495.82
    water 1.81
    ethyl acetate 3316.63
    n-propanol 2120.27
    acetone 3537.84
    n-butanol 2481.08
    acetonitrile 1647.87
    DMF 2074.09
    toluene 2043.72
    isobutanol 2290.0
    1,4-dioxane 4343.81
    methyl acetate 2428.67
    THF 7105.56
    2-butanone 2960.97
    n-pentanol 1703.23
    sec-butanol 2850.95
    n-hexane 3446.65
    ethylene glycol 232.68
    NMP 3469.64
    cyclohexane 6985.68
    DMSO 2339.33
    n-butyl acetate 4991.14
    n-octanol 2434.36
    chloroform 12234.02
    n-propyl acetate 2720.87
    acetic acid 3384.93
    dichloromethane 8349.63
    cyclohexanone 7194.31
    propylene glycol 622.73
    isopropyl acetate 2858.63
    DMAc 2325.37
    2-ethoxyethanol 1424.1
    isopentanol 2663.42
    n-heptane 3685.76
    ethyl formate 1749.39
    1,2-dichloroethane 4772.99
    n-hexanol 3170.14
    2-methoxyethanol 1757.74
    isobutyl acetate 2335.7
    tetrachloromethane 3369.44
    n-pentyl acetate 3353.36
    transcutol 5372.37
    n-heptanol 2091.31
    ethylbenzene 1691.36
    MIBK 2106.99
    2-propoxyethanol 2543.62
    tert-butanol 4196.81
    MTBE 4141.29
    2-butoxyethanol 2279.15
    propionic acid 2432.64
    o-xylene 1777.07
    formic acid 485.3
    diethyl ether 3106.47
    m-xylene 1651.39
    p-xylene 2869.75
    chlorobenzene 3217.47
    dimethyl carbonate 816.36
    n-octane 1378.8
    formamide 515.47
    cyclopentanone 5328.15
    2-pentanone 2877.21
    anisole 1704.27
    cyclopentyl methyl ether 4425.45
    gamma-butyrolactone 5160.8
    1-methoxy-2-propanol 1849.73
    pyridine 3409.67
    3-pentanone 2540.2
    furfural 3318.02
    n-dodecane 768.72
    diethylene glycol 1135.24
    diisopropyl ether 2011.09
    tert-amyl alcohol 3957.42
    acetylacetone 2905.64
    n-hexadecane 879.51
    acetophenone 1953.18
    methyl propionate 2075.2
    isopentyl acetate 4696.1
    trichloroethylene 8251.71
    n-nonanol 2215.24
    cyclohexanol 5128.25
    benzyl alcohol 1323.57
    2-ethylhexanol 3223.92
    isooctanol 1916.43
    dipropyl ether 4163.25
    1,2-dichlorobenzene 3060.74
    ethyl lactate 1151.67
    propylene carbonate 3938.75
    n-methylformamide 972.78
    2-pentanol 2672.81
    n-pentane 2078.98
    1-propoxy-2-propanol 3109.83
    1-methoxy-2-propyl acetate 2911.33
    2-(2-methoxypropoxy) propanol 1794.76
    mesitylene 1461.17
    ε-caprolactone 5720.83
    p-cymene 1778.29
    epichlorohydrin 4511.51
    1,1,1-trichloroethane 7972.07
    2-aminoethanol 616.14
    morpholine-4-carbaldehyde 3018.16
    sulfolane 5663.19
    2,2,4-trimethylpentane 1307.62
    2-methyltetrahydrofuran 6237.6
    n-hexyl acetate 4731.3
    isooctane 943.61
    2-(2-butoxyethoxy)ethanol 2458.36
    sec-butyl acetate 2299.93
    tert-butyl acetate 3432.24
    decalin 2264.4
    glycerin 700.11
    diglyme 4236.85
    acrylic acid 1657.09
    isopropyl myristate 2208.32
    n-butyric acid 4502.56
    acetyl acetate 2664.92
    di(2-ethylhexyl) phthalate 1232.29
    ethyl propionate 2300.66
    nitromethane 3112.47
    1,2-diethoxyethane 3381.92
    benzonitrile 2168.42
    trioctyl phosphate 1249.14
    1-bromopropane 4492.99
    gamma-valerolactone 5121.34
    n-decanol 1621.25
    triethyl phosphate 1583.14
    4-methyl-2-pentanol 1771.25
    propionitrile 1763.43
    vinylene carbonate 2871.96
    1,1,2-trichlorotrifluoroethane 3570.09
    DMS 2287.22
    cumene 1407.62
    2-octanol 1977.36
    2-hexanone 2579.97
    octyl acetate 2423.28
    limonene 3168.31
    1,2-dimethoxyethane 3125.44
    ethyl orthosilicate 1686.06
    tributyl phosphate 1616.78
    diacetone alcohol 2543.43
    N,N-dimethylaniline 1391.97
    acrylonitrile 1472.97
    aniline 1828.24
    1,3-propanediol 1241.95
    bromobenzene 3832.64
    dibromomethane 7315.98
    1,1,2,2-tetrachloroethane 8659.87
    2-methyl-cyclohexyl acetate 3077.88
    tetrabutyl urea 1829.08
    diisobutyl methanol 2298.61
    2-phenylethanol 1686.06
    styrene 1851.37
    dioctyl adipate 2319.73
    dimethyl sulfate 1207.34
    ethyl butyrate 3434.58
    methyl lactate 1040.95
    butyl lactate 2321.49
    diethyl carbonate 2237.35
    propanediol butyl ether 1990.27
    triethyl orthoformate 2886.03
    p-tert-butyltoluene 1718.27
    methyl 4-tert-butylbenzoate 2224.08
    morpholine 4442.48
    tert-butylamine 3558.73
    n-dodecanol 1314.63
    dimethoxymethane 1546.69
    ethylene carbonate 3140.23
    cyrene 1362.96
    2-ethoxyethyl acetate 2647.74
    2-ethylhexyl acetate 4055.91
    1,2,4-trichlorobenzene 3549.78
    4-methylpyridine 3535.59
    dibutyl ether 4637.03
    2,6-dimethyl-4-heptanol 2298.61
    DEF 2714.48
    dimethyl isosorbide 3039.46
    tetrachloroethylene 5992.3
    eugenol 1572.24
    triacetin 3085.89
    span 80 2451.44
    1,4-butanediol 582.6
    1,1-dichloroethane 6251.47
    2-methyl-1-pentanol 1911.88
    methyl formate 889.18
    2-methyl-1-butanol 2457.31
    n-decane 1460.3
    butyronitrile 2486.76
    3,7-dimethyl-1-octanol 2666.46
    1-chlorooctane 2874.18
    1-chlorotetradecane 1283.32
    n-nonane 1659.6
    undecane 978.84
    tert-butylcyclohexane 1931.91
    cyclooctane 2399.98
    cyclopentanol 3947.07
    tetrahydropyran 7106.09
    tert-amyl methyl ether 3231.01
    2,5,8-trioxanonane 2485.97
    1-hexene 3663.53
    2-isopropoxyethanol 1443.38
    2,2,2-trifluoroethanol 1121.14
    methyl butyrate 3174.65

    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