2-Butan-2-yloxynaphthalene

  • Identifiers

    Molecular formula
    C14H16O

    SMILES
    CCC(C)OC1=CC2=CC=CC=C2C=C1

  • Odor profile

    Fragrance
    Floral 74.1%
    Fruity 56.73%
    Sweet 40.9%
    Rose 38.83%
    Anisic 34.68%
    Green 33.22%
    Herbal 31.77%
    Animal 30.96%
    Spicy 29.11%
    Aromatic 27.92%

     

    Flavor
    Green 56.19%
    Floral 42.14%
    Sweet 38.64%
    Herbal 33.59%
    Bitter 31.4%
    Rose 29.85%
    Earthy 29.4%
    Musty 28.61%
    Balsam 28.42%
    Spicy 27.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.06 (weak base)

    Molecular weight
    200.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    293°C

    Flash point

    • 129.02 ˚C est.

  • Applications

    2-Butan-2-yloxynaphthalene is commonly regarded as an organic synthesis intermediate and can serve as a precursor for resin-related compounds, dyes, pigments, and other naphthalene derivatives. It may be used as a solvent or processing aid in coating and ink formulations. It can be explored as a specialty chemical for polymers/plastics processing and formulation, potentially supporting material compatibility or acting as a reactive intermediate in certain systems. In perfumery, it may be evaluated as a fragrance-related intermediate or odorant precursor for developing specialized scent materials, depending on safety and regulatory constraints. In industrial manufacturing, it may be used as a building block for specialty chemicals and for research and development in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 657.85
    methanol 489.32
    isopropanol 383.03
    water 0.1
    ethyl acetate 1901.42
    n-propanol 513.28
    acetone 1245.74
    n-butanol 600.38
    acetonitrile 976.06
    DMF 698.42
    toluene 931.34
    isobutanol 366.04
    1,4-dioxane 4024.0
    methyl acetate 1326.62
    THF 2522.6
    2-butanone 1086.93
    n-pentanol 505.79
    sec-butanol 374.64
    n-hexane 658.15
    ethylene glycol 62.64
    NMP 506.31
    cyclohexane 632.43
    DMSO 868.13
    n-butyl acetate 2027.85
    n-octanol 238.04
    chloroform 4304.86
    n-propyl acetate 1176.38
    acetic acid 476.85
    dichloromethane 4998.84
    cyclohexanone 1575.78
    propylene glycol 78.81
    isopropyl acetate 979.46
    DMAc 750.75
    2-ethoxyethanol 711.46
    isopentanol 528.59
    n-heptane 256.3
    ethyl formate 547.98
    1,2-dichloroethane 3901.01
    n-hexanol 772.86
    2-methoxyethanol 819.0
    isobutyl acetate 855.41
    tetrachloromethane 494.65
    n-pentyl acetate 675.8
    transcutol 3302.46
    n-heptanol 224.17
    ethylbenzene 582.84
    MIBK 577.4
    2-propoxyethanol 1170.35
    tert-butanol 507.5
    MTBE 1400.63
    2-butoxyethanol 417.98
    propionic acid 352.18
    o-xylene 410.48
    formic acid 70.11
    diethyl ether 3219.71
    m-xylene 444.63
    p-xylene 623.33
    chlorobenzene 1070.82
    dimethyl carbonate 442.8
    n-octane 99.74
    formamide 155.09
    cyclopentanone 1196.4
    2-pentanone 1023.78
    anisole 1084.54
    cyclopentyl methyl ether 1313.56
    gamma-butyrolactone 1208.06
    1-methoxy-2-propanol 514.67
    pyridine 1781.07
    3-pentanone 980.07
    furfural 885.87
    n-dodecane 64.67
    diethylene glycol 466.32
    diisopropyl ether 600.88
    tert-amyl alcohol 427.13
    acetylacetone 1187.64
    n-hexadecane 77.18
    acetophenone 690.0
    methyl propionate 980.96
    isopentyl acetate 1520.99
    trichloroethylene 4406.02
    n-nonanol 227.79
    cyclohexanol 553.45
    benzyl alcohol 460.74
    2-ethylhexanol 563.48
    isooctanol 192.05
    dipropyl ether 1550.57
    1,2-dichlorobenzene 881.31
    ethyl lactate 223.25
    propylene carbonate 760.58
    n-methylformamide 281.57
    2-pentanol 389.7
    n-pentane 272.39
    1-propoxy-2-propanol 729.41
    1-methoxy-2-propyl acetate 1098.35
    2-(2-methoxypropoxy) propanol 510.22
    mesitylene 282.43
    ε-caprolactone 1365.57
    p-cymene 278.58
    epichlorohydrin 2327.22
    1,1,1-trichloroethane 2131.11
    2-aminoethanol 150.12
    morpholine-4-carbaldehyde 1117.85
    sulfolane 977.77
    2,2,4-trimethylpentane 100.08
    2-methyltetrahydrofuran 2012.92
    n-hexyl acetate 916.18
    isooctane 80.61
    2-(2-butoxyethoxy)ethanol 705.26
    sec-butyl acetate 808.11
    tert-butyl acetate 857.63
    decalin 253.64
    glycerin 113.69
    diglyme 1714.73
    acrylic acid 241.52
    isopropyl myristate 360.33
    n-butyric acid 708.04
    acetyl acetate 1096.18
    di(2-ethylhexyl) phthalate 246.72
    ethyl propionate 987.1
    nitromethane 865.05
    1,2-diethoxyethane 2653.28
    benzonitrile 654.34
    trioctyl phosphate 162.6
    1-bromopropane 2136.71
    gamma-valerolactone 1397.45
    n-decanol 178.18
    triethyl phosphate 390.66
    4-methyl-2-pentanol 238.86
    propionitrile 742.51
    vinylene carbonate 713.49
    1,1,2-trichlorotrifluoroethane 754.21
    DMS 884.0
    cumene 335.91
    2-octanol 159.84
    2-hexanone 1004.79
    octyl acetate 410.04
    limonene 451.08
    1,2-dimethoxyethane 2055.67
    ethyl orthosilicate 399.25
    tributyl phosphate 277.79
    diacetone alcohol 477.21
    N,N-dimethylaniline 541.48
    acrylonitrile 660.46
    aniline 645.97
    1,3-propanediol 322.96
    bromobenzene 1383.77
    dibromomethane 3271.87
    1,1,2,2-tetrachloroethane 3523.32
    2-methyl-cyclohexyl acetate 670.71
    tetrabutyl urea 324.42
    diisobutyl methanol 263.84
    2-phenylethanol 595.78
    styrene 818.55
    dioctyl adipate 491.43
    dimethyl sulfate 403.51
    ethyl butyrate 1150.16
    methyl lactate 181.28
    butyl lactate 305.25
    diethyl carbonate 789.02
    propanediol butyl ether 258.87
    triethyl orthoformate 689.15
    p-tert-butyltoluene 255.81
    methyl 4-tert-butylbenzoate 399.58
    morpholine 2965.51
    tert-butylamine 425.28
    n-dodecanol 153.43
    dimethoxymethane 1118.24
    ethylene carbonate 750.19
    cyrene 315.67
    2-ethoxyethyl acetate 1016.28
    2-ethylhexyl acetate 1336.08
    1,2,4-trichlorobenzene 952.9
    4-methylpyridine 1472.87
    dibutyl ether 1036.09
    2,6-dimethyl-4-heptanol 263.84
    DEF 1160.61
    dimethyl isosorbide 895.69
    tetrachloroethylene 2134.61
    eugenol 373.22
    triacetin 664.35
    span 80 366.61
    1,4-butanediol 134.9
    1,1-dichloroethane 2455.94
    2-methyl-1-pentanol 555.01
    methyl formate 263.38
    2-methyl-1-butanol 480.92
    n-decane 112.34
    butyronitrile 817.25
    3,7-dimethyl-1-octanol 294.08
    1-chlorooctane 402.36
    1-chlorotetradecane 162.96
    n-nonane 122.81
    undecane 81.68
    tert-butylcyclohexane 218.59
    cyclooctane 209.44
    cyclopentanol 361.49
    tetrahydropyran 3344.54
    tert-amyl methyl ether 852.21
    2,5,8-trioxanonane 1038.06
    1-hexene 1403.86
    2-isopropoxyethanol 552.59
    2,2,2-trifluoroethanol 119.63
    methyl butyrate 1161.92

    Scent© AI

1 of 3
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