1-Isobutoxy-1-isopentyloxy-3-methylbutane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1401307-17-2

    Molecular formula
    C14H30O2

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

  • Odor profile

    Fragrance
    Green 95.4%
    Alcoholic 79.0%
    Fermented 74.59%
    Cocoa 70.71%
    Ethereal 64.11%
    Malty 63.67%
    Cognac 62.15%
    Apple 34.52%
    Oily 31.63%
    Fruity 31.07%

     

    Flavor
    Green 59.54%
    Fruity 55.37%
    Tropical 31.43%
    Ethereal 30.23%
    Fermented 27.41%
    Oily 25.85%
    Earthy 23.34%
    Yeasty 22.11%
    Waxy 22.1%
    Mild 21.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.52 (neutral)

    Molecular weight
    230.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 85.4 ˚C est.

  • Synonyms

    • 1-Isobutoxy-1-isopentyloxy-3-methylbutane
    • 85VO123W53
    • UNII-85VO123W53
    • Butane, 3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)-
    • 1401307-17-2
    • DTXSID601020871
    • DTXCID601505267
    • NS00122051
    • ISOVALERALDEHYDE ISOBUTYL ISOPENTYL ACETAL
    • Q27269671

  • Applications

    Chemical: 1-Isobutoxy-1-isopentyloxy-3-methylbutane (CAS 1401307-17-2) may be used as a non-polar solvent and processing aid in industrial manufacturing; as a plasticizer or plasticizer-like diluent in certain polymer systems; as a component in coatings, inks, and adhesive formulations to adjust rheology and film formation; as an intermediate in organic synthesis; and possibly in specialty cleaning formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3240.78
    methanol 2080.26
    isopropanol 3727.85
    water 2.85
    ethyl acetate 3571.32
    n-propanol 3197.13
    acetone 3728.98
    n-butanol 3664.21
    acetonitrile 1864.47
    DMF 2185.24
    toluene 2193.23
    isobutanol 3373.16
    1,4-dioxane 4813.14
    methyl acetate 2576.93
    THF 6218.19
    2-butanone 3172.82
    n-pentanol 2616.34
    sec-butanol 4179.33
    n-hexane 4349.25
    ethylene glycol 332.43
    NMP 2920.61
    cyclohexane 6888.71
    DMSO 2224.7
    n-butyl acetate 5776.62
    n-octanol 3028.39
    chloroform 11757.98
    n-propyl acetate 3099.96
    acetic acid 4126.02
    dichloromethane 7018.94
    cyclohexanone 6965.01
    propylene glycol 831.79
    isopropyl acetate 3217.82
    DMAc 2427.47
    2-ethoxyethanol 1980.14
    isopentanol 4010.44
    n-heptane 4112.63
    ethyl formate 1991.95
    1,2-dichloroethane 4421.02
    n-hexanol 4890.05
    2-methoxyethanol 2403.34
    isobutyl acetate 2633.44
    tetrachloromethane 3399.79
    n-pentyl acetate 3702.31
    transcutol 6349.22
    n-heptanol 2901.02
    ethylbenzene 1962.73
    MIBK 2399.3
    2-propoxyethanol 3452.87
    tert-butanol 5515.21
    MTBE 5554.79
    2-butoxyethanol 3011.88
    propionic acid 2795.18
    o-xylene 1851.29
    formic acid 698.96
    diethyl ether 3911.97
    m-xylene 1742.56
    p-xylene 3325.22
    chlorobenzene 3005.36
    dimethyl carbonate 732.67
    n-octane 1447.4
    formamide 597.77
    cyclopentanone 4538.18
    2-pentanone 3116.18
    anisole 1843.97
    cyclopentyl methyl ether 4265.49
    gamma-butyrolactone 4147.59
    1-methoxy-2-propanol 2319.06
    pyridine 3535.49
    3-pentanone 2474.8
    furfural 3047.75
    n-dodecane 797.12
    diethylene glycol 1488.24
    diisopropyl ether 2493.96
    tert-amyl alcohol 5575.32
    acetylacetone 2819.94
    n-hexadecane 892.98
    acetophenone 2010.74
    methyl propionate 2009.83
    isopentyl acetate 5722.51
    trichloroethylene 8188.18
    n-nonanol 2631.88
    cyclohexanol 5869.69
    benzyl alcohol 1520.19
    2-ethylhexanol 4292.53
    isooctanol 2556.72
    dipropyl ether 4581.5
    1,2-dichlorobenzene 2800.47
    ethyl lactate 1194.42
    propylene carbonate 3449.13
    n-methylformamide 1139.94
    2-pentanol 3725.23
    n-pentane 2620.84
    1-propoxy-2-propanol 3852.18
    1-methoxy-2-propyl acetate 2998.5
    2-(2-methoxypropoxy) propanol 2015.27
    mesitylene 1516.0
    ε-caprolactone 5822.87
    p-cymene 1948.98
    epichlorohydrin 4281.69
    1,1,1-trichloroethane 7421.98
    2-aminoethanol 865.46
    morpholine-4-carbaldehyde 2929.84
    sulfolane 4246.78
    2,2,4-trimethylpentane 1574.52
    2-methyltetrahydrofuran 5952.11
    n-hexyl acetate 4960.23
    isooctane 1232.68
    2-(2-butoxyethoxy)ethanol 2825.05
    sec-butyl acetate 2672.74
    tert-butyl acetate 3568.72
    decalin 2437.15
    glycerin 887.31
    diglyme 4781.14
    acrylic acid 1832.68
    isopropyl myristate 2092.63
    n-butyric acid 5572.92
    acetyl acetate 2631.94
    di(2-ethylhexyl) phthalate 1272.02
    ethyl propionate 2421.22
    nitromethane 3200.64
    1,2-diethoxyethane 3721.59
    benzonitrile 2370.84
    trioctyl phosphate 1242.19
    1-bromopropane 4376.49
    gamma-valerolactone 4910.44
    n-decanol 1853.33
    triethyl phosphate 1535.06
    4-methyl-2-pentanol 2408.36
    propionitrile 1992.94
    vinylene carbonate 2639.45
    1,1,2-trichlorotrifluoroethane 3803.99
    DMS 2098.48
    cumene 1653.66
    2-octanol 2478.72
    2-hexanone 3160.96
    octyl acetate 2383.73
    limonene 3357.98
    1,2-dimethoxyethane 4042.35
    ethyl orthosilicate 1703.06
    tributyl phosphate 1600.58
    diacetone alcohol 2700.89
    N,N-dimethylaniline 1624.42
    acrylonitrile 1636.91
    aniline 1893.89
    1,3-propanediol 1726.22
    bromobenzene 3405.42
    dibromomethane 6326.36
    1,1,2,2-tetrachloroethane 8164.32
    2-methyl-cyclohexyl acetate 3141.81
    tetrabutyl urea 1776.42
    diisobutyl methanol 2782.23
    2-phenylethanol 2049.14
    styrene 1987.36
    dioctyl adipate 2258.78
    dimethyl sulfate 1016.36
    ethyl butyrate 3539.17
    methyl lactate 983.69
    butyl lactate 2516.99
    diethyl carbonate 2276.5
    propanediol butyl ether 2570.43
    triethyl orthoformate 3027.45
    p-tert-butyltoluene 1798.66
    methyl 4-tert-butylbenzoate 2162.0
    morpholine 4869.57
    tert-butylamine 4724.3
    n-dodecanol 1504.08
    dimethoxymethane 1620.85
    ethylene carbonate 2793.77
    cyrene 1356.83
    2-ethoxyethyl acetate 2808.14
    2-ethylhexyl acetate 4636.52
    1,2,4-trichlorobenzene 3197.9
    4-methylpyridine 3887.07
    dibutyl ether 4831.76
    2,6-dimethyl-4-heptanol 2782.23
    DEF 2948.02
    dimethyl isosorbide 2909.99
    tetrachloroethylene 6201.45
    eugenol 1667.91
    triacetin 2833.65
    span 80 2533.77
    1,4-butanediol 861.57
    1,1-dichloroethane 5837.22
    2-methyl-1-pentanol 2928.67
    methyl formate 999.33
    2-methyl-1-butanol 3685.26
    n-decane 1518.73
    butyronitrile 3085.99
    3,7-dimethyl-1-octanol 3242.98
    1-chlorooctane 2820.21
    1-chlorotetradecane 1286.86
    n-nonane 1792.93
    undecane 1002.45
    tert-butylcyclohexane 2229.06
    cyclooctane 2346.19
    cyclopentanol 4022.85
    tetrahydropyran 7243.38
    tert-amyl methyl ether 4094.14
    2,5,8-trioxanonane 2670.52
    1-hexene 4977.9
    2-isopropoxyethanol 1935.04
    2,2,2-trifluoroethanol 1227.29
    methyl butyrate 3560.14

    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