2-(4-Methoxyphenyl)butane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4917-90-2

    Molecular formula
    C11H16O

    SMILES
    CCC(C)C1=CC=C(C=C1)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 67.56%
    Herbal 66.21%
    Phenolic 48.95%
    Earthy 41.93%
    Woody 41.9%
    Leathery 36.72%
    Green 34.87%
    Sweet 33.05%
    Anisic 32.79%
    Smoky 30.92%

     

    Flavor
    Herbal 38.21%
    Woody 37.56%
    Spicy 37.21%
    Spice 36.67%
    Green 31.52%
    Fresh 30.5%
    Herb 28.5%
    Musty 25.97%
    Citrus 25.56%
    Warm 24.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.26 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 85.31 ˚C est.

  • Synonyms

    • 4917-90-2
    • 2-(4-Methoxyphenyl)butane
    • DTXSID101312485
    • RefChem:1061287
    • DTXCID301742278
    • 1-Sec-butyl-4-methoxybenzene
    • P-SEC-BUTYLANISOLE
    • 1-(sec-Butyl)-4-methoxybenzene
    • 1-(butan-2-yl)-4-methoxybenzene
    • 1-butan-2-yl-4-methoxybenzene
    • Anisole, 4-sec-butyl
    • Benzene, 1-methoxy-4-(1-methylpropyl)-
    • 1-methoxy-4-(1-methylpropyl)benzene
    • 4-sec-Butylanisole
    • 4-sec-butyl-anisol
    • SCHEMBL690069
    • SCHEMBL3093405
    • SCHEMBL7690851
    • SCHEMBL9330212
    • SCHEMBL10724165
    • SCHEMBL12015203
    • CHEBI:167339
    • 1-methoxy-4-(1-methylpropyl)-benzene
    • HS-6008
    • 4917-90-2

  • Applications

    2-(4-Methoxyphenyl)butane (CAS 4917-90-2) is commonly used as a chemical intermediate in the fragrance and flavor industries, serving as a scaffold for synthesizing anisyl-containing aroma compounds and related arylbutane derivatives. In perfumery and cosmetics, it may function as a building block for fragrance ingredients or be evaluated as a precursor in developing odor-active compounds. It may also find use in industrial manufacturing as a specialty intermediate for subsequent chemical transformations that yield odorant-related components in coatings or inks. Additionally, it can be used in research and development as a synthetic intermediate in organic synthesis workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4720.41
    methanol 3817.02
    isopropanol 2623.12
    water 0.63
    ethyl acetate 13094.24
    n-propanol 4619.52
    acetone 10646.12
    n-butanol 3728.37
    acetonitrile 8530.1
    DMF 6529.42
    toluene 3677.98
    isobutanol 2682.87
    1,4-dioxane 13356.2
    methyl acetate 8477.17
    THF 10212.4
    2-butanone 8304.51
    n-pentanol 1767.23
    sec-butanol 2448.2
    n-hexane 532.09
    ethylene glycol 722.23
    NMP 3506.16
    cyclohexane 1208.07
    DMSO 7904.53
    n-butyl acetate 4727.06
    n-octanol 381.46
    chloroform 14799.27
    n-propyl acetate 3413.97
    acetic acid 3456.59
    dichloromethane 19051.17
    cyclohexanone 8225.71
    propylene glycol 809.55
    isopropyl acetate 4526.38
    DMAc 3408.61
    2-ethoxyethanol 3758.68
    isopentanol 2939.61
    n-heptane 175.46
    ethyl formate 3717.6
    1,2-dichloroethane 17020.6
    n-hexanol 2031.01
    2-methoxyethanol 7105.97
    isobutyl acetate 1511.05
    tetrachloromethane 2476.66
    n-pentyl acetate 1230.1
    transcutol 12023.44
    n-heptanol 430.08
    ethylbenzene 1020.71
    MIBK 2592.78
    2-propoxyethanol 4648.61
    tert-butanol 3725.77
    MTBE 8069.84
    2-butoxyethanol 1236.53
    propionic acid 3184.3
    o-xylene 1238.97
    formic acid 945.48
    diethyl ether 15106.22
    m-xylene 1507.96
    p-xylene 1009.32
    chlorobenzene 5092.57
    dimethyl carbonate 2371.59
    n-octane 51.07
    formamide 2925.18
    cyclopentanone 8015.12
    2-pentanone 6809.85
    anisole 2993.68
    cyclopentyl methyl ether 6472.68
    gamma-butyrolactone 7830.73
    1-methoxy-2-propanol 3801.29
    pyridine 9345.35
    3-pentanone 6089.21
    furfural 5410.77
    n-dodecane 32.74
    diethylene glycol 2553.28
    diisopropyl ether 2216.46
    tert-amyl alcohol 2979.18
    acetylacetone 6105.85
    n-hexadecane 41.02
    acetophenone 1587.25
    methyl propionate 7825.5
    isopentyl acetate 3132.02
    trichloroethylene 21435.98
    n-nonanol 347.77
    cyclohexanol 2959.89
    benzyl alcohol 1572.22
    2-ethylhexanol 968.52
    isooctanol 358.82
    dipropyl ether 2611.27
    1,2-dichlorobenzene 3613.32
    ethyl lactate 728.17
    propylene carbonate 3206.53
    n-methylformamide 4652.21
    2-pentanol 2177.35
    n-pentane 576.85
    1-propoxy-2-propanol 2382.8
    1-methoxy-2-propyl acetate 4058.19
    2-(2-methoxypropoxy) propanol 1156.48
    mesitylene 836.34
    ε-caprolactone 5806.29
    p-cymene 428.13
    epichlorohydrin 13770.48
    1,1,1-trichloroethane 10682.58
    2-aminoethanol 1705.2
    morpholine-4-carbaldehyde 5629.86
    sulfolane 6576.99
    2,2,4-trimethylpentane 215.59
    2-methyltetrahydrofuran 9089.76
    n-hexyl acetate 1597.16
    isooctane 194.94
    2-(2-butoxyethoxy)ethanol 1890.34
    sec-butyl acetate 2052.12
    tert-butyl acetate 4548.34
    decalin 314.77
    glycerin 1056.8
    diglyme 4612.08
    acrylic acid 2341.73
    isopropyl myristate 499.31
    n-butyric acid 4830.82
    acetyl acetate 4538.02
    di(2-ethylhexyl) phthalate 392.79
    ethyl propionate 3564.82
    nitromethane 10049.83
    1,2-diethoxyethane 6270.99
    benzonitrile 2299.11
    trioctyl phosphate 273.6
    1-bromopropane 7936.95
    gamma-valerolactone 9199.65
    n-decanol 253.75
    triethyl phosphate 710.85
    4-methyl-2-pentanol 966.74
    propionitrile 6010.14
    vinylene carbonate 3177.3
    1,1,2-trichlorotrifluoroethane 5130.55
    DMS 2115.15
    cumene 498.47
    2-octanol 261.32
    2-hexanone 2778.13
    octyl acetate 583.61
    limonene 797.75
    1,2-dimethoxyethane 6586.58
    ethyl orthosilicate 768.97
    tributyl phosphate 508.85
    diacetone alcohol 2767.99
    N,N-dimethylaniline 1086.36
    acrylonitrile 6320.32
    aniline 4066.08
    1,3-propanediol 2887.79
    bromobenzene 5944.99
    dibromomethane 11757.11
    1,1,2,2-tetrachloroethane 14826.52
    2-methyl-cyclohexyl acetate 1149.07
    tetrabutyl urea 518.34
    diisobutyl methanol 517.27
    2-phenylethanol 1597.28
    styrene 1804.15
    dioctyl adipate 742.43
    dimethyl sulfate 2614.59
    ethyl butyrate 2526.76
    methyl lactate 1311.31
    butyl lactate 714.78
    diethyl carbonate 1616.42
    propanediol butyl ether 819.36
    triethyl orthoformate 1413.03
    p-tert-butyltoluene 445.01
    methyl 4-tert-butylbenzoate 833.3
    morpholine 14829.03
    tert-butylamine 2568.95
    n-dodecanol 186.01
    dimethoxymethane 7449.06
    ethylene carbonate 3210.36
    cyrene 878.94
    2-ethoxyethyl acetate 2864.37
    2-ethylhexyl acetate 2478.59
    1,2,4-trichlorobenzene 4186.01
    4-methylpyridine 7728.67
    dibutyl ether 1296.92
    2,6-dimethyl-4-heptanol 517.27
    DEF 6924.25
    dimethyl isosorbide 2290.79
    tetrachloroethylene 9260.89
    eugenol 850.34
    triacetin 1335.84
    span 80 859.95
    1,4-butanediol 698.69
    1,1-dichloroethane 12384.96
    2-methyl-1-pentanol 1590.21
    methyl formate 3262.86
    2-methyl-1-butanol 2752.48
    n-decane 59.75
    butyronitrile 4794.77
    3,7-dimethyl-1-octanol 526.54
    1-chlorooctane 429.53
    1-chlorotetradecane 149.88
    n-nonane 60.11
    undecane 42.07
    tert-butylcyclohexane 270.83
    cyclooctane 296.88
    cyclopentanol 2362.25
    tetrahydropyran 13516.95
    tert-amyl methyl ether 3948.33
    2,5,8-trioxanonane 2369.09
    1-hexene 1838.9
    2-isopropoxyethanol 2062.49
    2,2,2-trifluoroethanol 1090.06
    methyl butyrate 3902.12

    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