4-Butyl-1,2-dimethoxybenzene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    59056-76-7

    Molecular formula
    C12H18O2

    SMILES
    CCCCC1=CC(=C(C=C1)OC)OC

  • Odor profile

    Spicy 73.51%
    Phenolic 52.69%
    Sweet 48.77%
    Smoky 40.89%
    Woody 37.11%
    Clove 36.84%
    Herbal 35.47%
    Earthy 35.15%
    Balsamic 34.92%
    Leathery 30.75%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point est.
    96.6 ˚C

  • Synonyms

    • 4-Butyl-1,2-dimethoxybenzene
    • 59056-76-7
    • DTXSID40343786
    • veratrylpropane
    • 4-n-butylveratrole
    • Benzene, 4-butyl-1,2-dimethoxy-
    • SCHEMBL2759507
    • 4-Butyl-1,2-dimethoxy benzene
    • DTXCID20294863
    • 4-Butyl-1,2-dimethoxybenzene #

  • Applications

    4-Butyl-1,2-dimethoxybenzene (CAS 59056-76-7) is an electron-rich aromatic used mainly as a synthetic intermediate, where the two methoxy groups serve as a catechol-protecting motif that can be demethylated to access 4-butylcatechol for use as an antioxidant, polymerization inhibitor, radical scavenger, and metal-chelating ligand; the butyl side chain increases hydrophobicity and tunes physicochemical properties, making the compound a useful building block for pharmaceuticals, agrochemicals, and fragrance ingredients, as well as a precursor/scaffold for functional organic materials (e.g., polymer/oligomer fragments, precursors to hole-transport materials, and cross-coupling intermediates), and it is explored in perfumery for a warm sweet woody–vanillic note and as a fixative; in research it also serves as a model substrate to study aryl-ether C–O activation, selective oxidations, and electrophilic aromatic substitution.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2766.61
    methanol 2173.66
    isopropanol 1929.33
    water 0.4
    ethyl acetate 6391.57
    n-propanol 2585.14
    acetone 7395.04
    n-butanol 2099.61
    acetonitrile 6317.08
    DMF 4689.54
    toluene 1387.09
    isobutanol 1872.77
    1,4-dioxane 5882.29
    methyl acetate 5610.1
    THF 4434.79
    2-butanone 4440.21
    n-pentanol 1169.13
    sec-butanol 1830.14
    n-hexane 298.76
    ethylene glycol 574.04
    NMP 2457.16
    cyclohexane 985.19
    DMSO 5483.39
    n-butyl acetate 2986.46
    n-octanol 496.52
    chloroform 11396.33
    n-propyl acetate 2706.98
    acetic acid 3871.89
    dichloromethane 13948.99
    cyclohexanone 5830.63
    propylene glycol 693.71
    isopropyl acetate 2372.03
    DMAc 1825.21
    2-ethoxyethanol 2299.86
    isopentanol 1576.91
    n-heptane 210.89
    ethyl formate 3707.23
    1,2-dichloroethane 11006.92
    n-hexanol 1305.56
    2-methoxyethanol 4016.32
    isobutyl acetate 1215.06
    tetrachloromethane 2209.91
    n-pentyl acetate 1237.91
    transcutol 4408.19
    n-heptanol 477.22
    ethylbenzene 676.65
    MIBK 1424.71
    2-propoxyethanol 2008.43
    tert-butanol 2805.1
    MTBE 3166.96
    2-butoxyethanol 949.7
    propionic acid 2892.78
    o-xylene 733.14
    formic acid 720.63
    diethyl ether 4743.88
    m-xylene 834.45
    p-xylene 836.11
    chlorobenzene 2922.49
    dimethyl carbonate 1510.8
    n-octane 105.5
    formamide 1783.71
    cyclopentanone 5511.18
    2-pentanone 3389.86
    anisole 1529.84
    cyclopentyl methyl ether 2656.74
    gamma-butyrolactone 6129.98
    1-methoxy-2-propanol 2307.36
    pyridine 4546.12
    3-pentanone 2840.04
    furfural 4157.58
    n-dodecane 70.28
    diethylene glycol 1401.77
    diisopropyl ether 923.14
    tert-amyl alcohol 2001.05
    acetylacetone 3553.27
    n-hexadecane 86.85
    acetophenone 1208.23
    methyl propionate 3960.55
    isopentyl acetate 1890.54
    trichloroethylene 14636.01
    n-nonanol 425.92
    cyclohexanol 2372.75
    benzyl alcohol 1118.2
    2-ethylhexanol 781.05
    isooctanol 413.72
    dipropyl ether 1328.72
    1,2-dichlorobenzene 2499.08
    ethyl lactate 743.57
    propylene carbonate 3247.4
    n-methylformamide 3296.63
    2-pentanol 1413.06
    n-pentane 328.13
    1-propoxy-2-propanol 1407.41
    1-methoxy-2-propyl acetate 1784.48
    2-(2-methoxypropoxy) propanol 680.88
    mesitylene 545.21
    ε-caprolactone 4206.35
    p-cymene 397.45
    epichlorohydrin 7186.76
    1,1,1-trichloroethane 8463.03
    2-aminoethanol 1038.98
    morpholine-4-carbaldehyde 2919.17
    sulfolane 5188.2
    2,2,4-trimethylpentane 164.09
    2-methyltetrahydrofuran 3773.64
    n-hexyl acetate 1436.28
    isooctane 130.28
    2-(2-butoxyethoxy)ethanol 1148.29
    sec-butyl acetate 1296.72
    tert-butyl acetate 2207.33
    decalin 276.68
    glycerin 806.72
    diglyme 2660.01
    acrylic acid 2302.1
    isopropyl myristate 488.2
    n-butyric acid 3888.26
    acetyl acetate 3249.06
    di(2-ethylhexyl) phthalate 354.61
    ethyl propionate 2108.46
    nitromethane 8286.7
    1,2-diethoxyethane 2469.57
    benzonitrile 1833.85
    trioctyl phosphate 307.99
    1-bromopropane 4341.7
    gamma-valerolactone 5048.64
    n-decanol 318.23
    triethyl phosphate 547.1
    4-methyl-2-pentanol 617.13
    propionitrile 3844.16
    vinylene carbonate 2934.83
    1,1,2-trichlorotrifluoroethane 4194.86
    DMS 1405.36
    cumene 403.67
    2-octanol 379.87
    2-hexanone 1821.68
    octyl acetate 640.76
    limonene 647.07
    1,2-dimethoxyethane 3975.81
    ethyl orthosilicate 534.11
    tributyl phosphate 440.0
    diacetone alcohol 1734.67
    N,N-dimethylaniline 685.51
    acrylonitrile 4540.91
    aniline 1877.44
    1,3-propanediol 1709.09
    bromobenzene 3372.9
    dibromomethane 8632.52
    1,1,2,2-tetrachloroethane 10710.7
    2-methyl-cyclohexyl acetate 842.36
    tetrabutyl urea 492.69
    diisobutyl methanol 439.22
    2-phenylethanol 967.5
    styrene 1031.44
    dioctyl adipate 673.23
    dimethyl sulfate 1824.69
    ethyl butyrate 1631.09
    methyl lactate 1066.77
    butyl lactate 728.5
    diethyl carbonate 1146.82
    propanediol butyl ether 772.43
    triethyl orthoformate 875.77
    p-tert-butyltoluene 370.45
    methyl 4-tert-butylbenzoate 758.38
    morpholine 6162.95
    tert-butylamine 1682.64
    n-dodecanol 251.72
    dimethoxymethane 3201.94
    ethylene carbonate 2850.78
    cyrene 706.25
    2-ethoxyethyl acetate 1701.83
    2-ethylhexyl acetate 1474.26
    1,2,4-trichlorobenzene 2538.05
    4-methylpyridine 3378.27
    dibutyl ether 1037.27
    2,6-dimethyl-4-heptanol 439.22
    DEF 3503.57
    dimethyl isosorbide 1239.57
    tetrachloroethylene 6956.59
    eugenol 705.73
    triacetin 1090.03
    span 80 653.43
    1,4-butanediol 655.52
    1,1-dichloroethane 9074.9
    2-methyl-1-pentanol 975.27
    methyl formate 3205.64
    2-methyl-1-butanol 1639.54
    n-decane 122.11
    butyronitrile 3325.33
    3,7-dimethyl-1-octanol 503.04
    1-chlorooctane 575.38
    1-chlorotetradecane 220.76
    n-nonane 131.69
    undecane 89.19
    tert-butylcyclohexane 222.72
    cyclooctane 283.76
    cyclopentanol 2015.32
    tetrahydropyran 5734.85
    tert-amyl methyl ether 1700.38
    2,5,8-trioxanonane 1365.03
    1-hexene 954.88
    2-isopropoxyethanol 1388.98
    2,2,2-trifluoroethanol 1213.98
    methyl butyrate 2944.43

    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

Botanical

Name CAS Botanical Proportion
Zingiber cassumunar root (Indonesia) 2 Zingiber cassumunar Roxb., fam. Zingiberaceae 1.0%