Isobutylather

  • Identifiers

    Molecular formula
    C8H18O

    SMILES
    CCOC(C)CC(C)C

  • Odor profile

    Fragrance
    Green 82.15%
    Ethereal 71.6%
    Fruity 69.12%
    Alcoholic 56.27%
    Fermented 53.81%
    Fresh 45.89%
    Herbal 43.28%
    Cognac 38.66%
    Pungent 37.19%
    Cocoa 36.85%

     

    Flavor
    Green 41.16%
    Ethereal 37.22%
    Fruity 31.8%
    Fermented 27.94%
    Oily 26.68%
    Fresh 26.02%
    Fishy 23.9%
    Tropical 23.59%
    Yeasty 22.79%
    Earthy 22.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.56 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    124°C

    Flash point

    • 14.06 ˚C est.

  • Synonyms

    • Isobutylather
    • SCHEMBL12124909
  • Applications

    Isobutylather is primarily used as a nonpolar solvent in industrial manufacturing and chemical synthesis, serving as a solvent for coatings, inks, and adhesives to improve solubility and processability; it also commonly functions as an intermediate in the preparation of other chemicals, and may be employed as a cleaning and maintenance solvent in production processes, with potential to act as a reactive solvent in polymerization steps to optimize material properties due to its ether-like, low-polarity nature.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2912.54
    methanol 2582.77
    isopropanol 2402.39
    water 2.77
    ethyl acetate 1251.5
    n-propanol 2382.56
    acetone 1223.67
    n-butanol 2500.26
    acetonitrile 1172.71
    DMF 738.71
    toluene 964.18
    isobutanol 1893.72
    1,4-dioxane 2777.95
    methyl acetate 1000.99
    THF 3658.33
    2-butanone 1141.55
    n-pentanol 1596.18
    sec-butanol 2418.98
    n-hexane 2623.33
    ethylene glycol 376.68
    NMP 1061.55
    cyclohexane 3522.32
    DMSO 865.12
    n-butyl acetate 1892.35
    n-octanol 1425.73
    chloroform 4724.62
    n-propyl acetate 839.73
    acetic acid 1552.52
    dichloromethane 2993.0
    cyclohexanone 2379.0
    propylene glycol 696.6
    isopropyl acetate 787.51
    DMAc 723.18
    2-ethoxyethanol 1030.19
    isopentanol 1894.99
    n-heptane 3155.24
    ethyl formate 798.2
    1,2-dichloroethane 1442.27
    n-hexanol 3932.76
    2-methoxyethanol 1565.61
    isobutyl acetate 584.34
    tetrachloromethane 1366.66
    n-pentyl acetate 979.52
    transcutol 2431.9
    n-heptanol 1298.17
    ethylbenzene 598.28
    MIBK 623.79
    2-propoxyethanol 2360.09
    tert-butanol 2729.58
    MTBE 2122.37
    2-butoxyethanol 1050.49
    propionic acid 1252.09
    o-xylene 620.76
    formic acid 366.41
    diethyl ether 2399.36
    m-xylene 624.34
    p-xylene 773.73
    chlorobenzene 1037.94
    dimethyl carbonate 176.86
    n-octane 646.55
    formamide 271.23
    cyclopentanone 1581.21
    2-pentanone 1031.08
    anisole 646.07
    cyclopentyl methyl ether 2140.4
    gamma-butyrolactone 1457.86
    1-methoxy-2-propanol 1210.25
    pyridine 1611.34
    3-pentanone 824.64
    furfural 1055.88
    n-dodecane 340.54
    diethylene glycol 1076.34
    diisopropyl ether 815.05
    tert-amyl alcohol 2331.43
    acetylacetone 654.98
    n-hexadecane 374.18
    acetophenone 473.98
    methyl propionate 708.54
    isopentyl acetate 1509.28
    trichloroethylene 2153.48
    n-nonanol 1113.69
    cyclohexanol 3007.72
    benzyl alcohol 582.93
    2-ethylhexanol 2436.38
    isooctanol 934.86
    dipropyl ether 2530.0
    1,2-dichlorobenzene 839.39
    ethyl lactate 324.57
    propylene carbonate 961.53
    n-methylformamide 539.97
    2-pentanol 1738.82
    n-pentane 1984.73
    1-propoxy-2-propanol 1989.02
    1-methoxy-2-propyl acetate 963.67
    2-(2-methoxypropoxy) propanol 741.22
    mesitylene 428.36
    ε-caprolactone 1862.57
    p-cymene 704.68
    epichlorohydrin 1590.38
    1,1,1-trichloroethane 2002.94
    2-aminoethanol 864.6
    morpholine-4-carbaldehyde 1113.23
    sulfolane 1325.26
    2,2,4-trimethylpentane 609.43
    2-methyltetrahydrofuran 3467.53
    n-hexyl acetate 1470.57
    isooctane 431.0
    2-(2-butoxyethoxy)ethanol 1029.16
    sec-butyl acetate 592.49
    tert-butyl acetate 802.14
    decalin 795.92
    glycerin 641.53
    diglyme 1554.79
    acrylic acid 766.68
    isopropyl myristate 588.78
    n-butyric acid 1982.78
    acetyl acetate 641.3
    di(2-ethylhexyl) phthalate 455.85
    ethyl propionate 624.28
    nitromethane 1015.76
    1,2-diethoxyethane 1343.93
    benzonitrile 878.53
    trioctyl phosphate 389.89
    1-bromopropane 2077.8
    gamma-valerolactone 1731.14
    n-decanol 785.83
    triethyl phosphate 413.23
    4-methyl-2-pentanol 841.09
    propionitrile 1267.17
    vinylene carbonate 786.72
    1,1,2-trichlorotrifluoroethane 1205.56
    DMS 505.23
    cumene 448.15
    2-octanol 994.56
    2-hexanone 993.06
    octyl acetate 719.37
    limonene 1471.73
    1,2-dimethoxyethane 1779.04
    ethyl orthosilicate 487.81
    tributyl phosphate 464.0
    diacetone alcohol 765.23
    N,N-dimethylaniline 475.42
    acrylonitrile 918.96
    aniline 890.49
    1,3-propanediol 1222.77
    bromobenzene 1114.83
    dibromomethane 2829.87
    1,1,2,2-tetrachloroethane 2195.67
    2-methyl-cyclohexyl acetate 923.87
    tetrabutyl urea 558.33
    diisobutyl methanol 994.46
    2-phenylethanol 935.35
    styrene 674.66
    dioctyl adipate 678.85
    dimethyl sulfate 221.56
    ethyl butyrate 1098.09
    methyl lactate 324.01
    butyl lactate 628.82
    diethyl carbonate 586.69
    propanediol butyl ether 880.65
    triethyl orthoformate 895.89
    p-tert-butyltoluene 658.02
    methyl 4-tert-butylbenzoate 593.48
    morpholine 2955.58
    tert-butylamine 2480.48
    n-dodecanol 606.0
    dimethoxymethane 669.12
    ethylene carbonate 801.74
    cyrene 476.87
    2-ethoxyethyl acetate 776.93
    2-ethylhexyl acetate 1367.08
    1,2,4-trichlorobenzene 938.68
    4-methylpyridine 1479.83
    dibutyl ether 1634.4
    2,6-dimethyl-4-heptanol 994.46
    DEF 917.78
    dimethyl isosorbide 1049.84
    tetrachloroethylene 1586.3
    eugenol 495.15
    triacetin 799.68
    span 80 1012.36
    1,4-butanediol 500.44
    1,1-dichloroethane 1960.36
    2-methyl-1-pentanol 1329.38
    methyl formate 375.18
    2-methyl-1-butanol 1947.74
    n-decane 630.96
    butyronitrile 1718.49
    3,7-dimethyl-1-octanol 1203.88
    1-chlorooctane 1146.82
    1-chlorotetradecane 445.08
    n-nonane 777.75
    undecane 439.63
    tert-butylcyclohexane 786.96
    cyclooctane 1103.7
    cyclopentanol 2406.45
    tetrahydropyran 4508.33
    tert-amyl methyl ether 1529.13
    2,5,8-trioxanonane 1044.3
    1-hexene 2858.11
    2-isopropoxyethanol 796.24
    2,2,2-trifluoroethanol 341.23
    methyl butyrate 860.06

    Scent© AI

1 of 4
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