2-tert-Butyl-5-methyl-2-propyltetrahydrofuran

  • Identifiers

    Molecular formula
    C12H24O

    SMILES
    CCCC1(CCC(O1)C)C(C)(C)C

  • Odor profile

    Fragrance
    Green 84.65%
    Fruity 70.73%
    Mint 57.38%
    Herbal 56.7%
    Fresh 52.65%
    Sweet 49.31%
    Woody 41.97%
    Camphoreous 38.17%
    Cooling 37.53%
    Earthy 35.59%

     

    Flavor
    Green 67.06%
    Earthy 39.63%
    Herbal 34.47%
    Woody 30.46%
    Minty 29.69%
    Camphor 26.89%
    Pepper 26.28%
    Spice 23.88%
    Spicy 22.3%
    Tea 22.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.26 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point

    • 64.93 ˚C est.

  • Synonyms

    • SCHEMBL4468863
    • JJNUWXRAXGKBHA-UHFFFAOYSA-N
    • 2-tert-Butyl-5-methyl-2-propyltetrahydrofuran
  • Applications

    2-tert-Butyl-5-methyl-2-propyltetrahydrofuran is typically employed as an intermediate in the synthesis of complex organic compounds, particularly in pharmaceutical and polymer applications. It can function as a specialty solvent or reaction medium due to its bulky ether framework, suitable for reactions requiring moderate polarity. It may serve as a building block for specialized polymers or as a precursor to coatings-related derivatives and surface-active materials. In coatings, inks, and broader industrial manufacturing, it can be used as a solvent or processing aid to adjust viscosity and volatilization properties. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1353.34
    methanol 1210.19
    isopropanol 1683.71
    water 3.89
    ethyl acetate 2254.58
    n-propanol 1887.6
    acetone 2026.98
    n-butanol 1984.36
    acetonitrile 1840.36
    DMF 2268.86
    toluene 3045.27
    isobutanol 1959.71
    1,4-dioxane 3336.76
    methyl acetate 1927.56
    THF 5012.25
    2-butanone 2292.28
    n-pentanol 1540.55
    sec-butanol 2105.09
    n-hexane 1765.68
    ethylene glycol 298.23
    NMP 2766.73
    cyclohexane 2546.95
    DMSO 1236.53
    n-butyl acetate 2981.47
    n-octanol 2312.26
    chloroform 7862.57
    n-propyl acetate 1719.12
    acetic acid 924.65
    dichloromethane 5803.51
    cyclohexanone 4535.33
    propylene glycol 563.36
    isopropyl acetate 1956.3
    DMAc 2336.56
    2-ethoxyethanol 1307.98
    isopentanol 2065.73
    n-heptane 2008.4
    ethyl formate 1439.77
    1,2-dichloroethane 3126.77
    n-hexanol 3055.43
    2-methoxyethanol 1692.57
    isobutyl acetate 1601.76
    tetrachloromethane 2513.57
    n-pentyl acetate 2229.1
    transcutol 2781.97
    n-heptanol 1941.64
    ethylbenzene 2050.28
    MIBK 1919.01
    2-propoxyethanol 2424.57
    tert-butanol 2330.84
    MTBE 3104.12
    2-butoxyethanol 1725.26
    propionic acid 1326.44
    o-xylene 2315.94
    formic acid 230.41
    diethyl ether 2665.98
    m-xylene 2380.02
    p-xylene 2661.82
    chlorobenzene 3181.51
    dimethyl carbonate 791.03
    n-octane 827.7
    formamide 318.88
    cyclopentanone 3760.54
    2-pentanone 2234.67
    anisole 2314.39
    cyclopentyl methyl ether 3732.85
    gamma-butyrolactone 3514.04
    1-methoxy-2-propanol 1646.23
    pyridine 2960.66
    3-pentanone 2010.27
    furfural 2896.11
    n-dodecane 603.13
    diethylene glycol 1061.6
    diisopropyl ether 1650.77
    tert-amyl alcohol 2372.67
    acetylacetone 2094.74
    n-hexadecane 689.97
    acetophenone 1918.53
    methyl propionate 1760.4
    isopentyl acetate 3067.95
    trichloroethylene 5228.89
    n-nonanol 1933.47
    cyclohexanol 2961.83
    benzyl alcohol 1498.05
    2-ethylhexanol 2596.44
    isooctanol 1676.79
    dipropyl ether 2909.58
    1,2-dichlorobenzene 3080.16
    ethyl lactate 889.63
    propylene carbonate 2600.15
    n-methylformamide 1059.98
    2-pentanol 1800.2
    n-pentane 1483.86
    1-propoxy-2-propanol 2286.22
    1-methoxy-2-propyl acetate 2159.25
    2-(2-methoxypropoxy) propanol 1561.81
    mesitylene 1885.33
    ε-caprolactone 3655.76
    p-cymene 1900.47
    epichlorohydrin 3584.91
    1,1,1-trichloroethane 4811.33
    2-aminoethanol 649.47
    morpholine-4-carbaldehyde 2765.58
    sulfolane 3531.58
    2,2,4-trimethylpentane 936.13
    2-methyltetrahydrofuran 4350.56
    n-hexyl acetate 3371.37
    isooctane 799.81
    2-(2-butoxyethoxy)ethanol 1717.77
    sec-butyl acetate 1538.25
    tert-butyl acetate 2134.22
    decalin 1408.36
    glycerin 600.51
    diglyme 3050.97
    acrylic acid 976.54
    isopropyl myristate 1642.64
    n-butyric acid 1925.6
    acetyl acetate 1503.03
    di(2-ethylhexyl) phthalate 1124.84
    ethyl propionate 1797.49
    nitromethane 1580.31
    1,2-diethoxyethane 1941.46
    benzonitrile 2570.02
    trioctyl phosphate 1034.2
    1-bromopropane 3304.23
    gamma-valerolactone 4134.44
    n-decanol 1414.64
    triethyl phosphate 1071.33
    4-methyl-2-pentanol 1379.21
    propionitrile 2238.78
    vinylene carbonate 2363.42
    1,1,2-trichlorotrifluoroethane 2250.09
    DMS 1766.98
    cumene 1665.47
    2-octanol 1790.78
    2-hexanone 1981.43
    octyl acetate 1862.53
    limonene 2656.22
    1,2-dimethoxyethane 2768.89
    ethyl orthosilicate 1098.51
    tributyl phosphate 1095.8
    diacetone alcohol 1714.38
    N,N-dimethylaniline 1819.8
    acrylonitrile 1970.69
    aniline 1975.2
    1,3-propanediol 932.7
    bromobenzene 4032.42
    dibromomethane 4722.19
    1,1,2,2-tetrachloroethane 5194.43
    2-methyl-cyclohexyl acetate 2223.3
    tetrabutyl urea 1390.79
    diisobutyl methanol 1496.03
    2-phenylethanol 2066.15
    styrene 2145.49
    dioctyl adipate 1675.34
    dimethyl sulfate 1073.97
    ethyl butyrate 2280.37
    methyl lactate 823.22
    butyl lactate 1443.17
    diethyl carbonate 1510.06
    propanediol butyl ether 1513.66
    triethyl orthoformate 1817.53
    p-tert-butyltoluene 1853.56
    methyl 4-tert-butylbenzoate 2128.26
    morpholine 3338.97
    tert-butylamine 2284.47
    n-dodecanol 1122.65
    dimethoxymethane 1856.42
    ethylene carbonate 2183.26
    cyrene 1235.73
    2-ethoxyethyl acetate 1869.84
    2-ethylhexyl acetate 2782.36
    1,2,4-trichlorobenzene 3367.72
    4-methylpyridine 3741.82
    dibutyl ether 2677.81
    2,6-dimethyl-4-heptanol 1496.03
    DEF 2276.9
    dimethyl isosorbide 2460.78
    tetrachloroethylene 3395.64
    eugenol 1496.69
    triacetin 1928.37
    span 80 1695.72
    1,4-butanediol 534.4
    1,1-dichloroethane 4065.01
    2-methyl-1-pentanol 1686.33
    methyl formate 926.5
    2-methyl-1-butanol 2126.53
    n-decane 998.8
    butyronitrile 2563.68
    3,7-dimethyl-1-octanol 2197.4
    1-chlorooctane 2323.93
    1-chlorotetradecane 1026.8
    n-nonane 1139.98
    undecane 743.7
    tert-butylcyclohexane 1386.25
    cyclooctane 1398.72
    cyclopentanol 2644.62
    tetrahydropyran 4293.69
    tert-amyl methyl ether 2616.38
    2,5,8-trioxanonane 1974.86
    1-hexene 2627.85
    2-isopropoxyethanol 1223.92
    2,2,2-trifluoroethanol 482.31
    methyl butyrate 2221.81

    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