1-Tert-butyl-2,4-dimethoxybenzene

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  • Identifiers

    CAS number
    7051-11-8

    Molecular formula
    C12H18O2

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

  • Odor profile

    Fragrance
    Woody 61.48%
    Spicy 53.12%
    Phenolic 49.57%
    Leathery 43.93%
    Earthy 39.06%
    Herbal 38.98%
    Camphoreous 36.97%
    Vetiver 33.57%
    Dry 33.29%
    Medicinal 31.57%

     

    Flavor
    Musty 36.32%
    Camphor 33.57%
    Phenolic 32.13%
    Earthy 30.72%
    Green 27.94%
    Herbal 26.62%
    Bitter 25.23%
    Woody 24.62%
    Spice 22.63%
    Green pepper 22.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.26 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 99.9 ˚C est.

  • Synonyms

    • 7051-11-8
    • SCHEMBL799917
    • DA-29049

  • Applications

    1-Tert-butyl-2,4-dimethoxybenzene (CAS 7051-11-8) is commonly used as an aromatic intermediate in the synthesis of more complex aromatic compounds. In perfumery and flavor applications, it can serve as an odorant or fragrance note, contributing to distinctive aroma profiles. It may also be used in cosmetics and personal-care products as a fragrance ingredient. In broader industrial manufacturing, it is employed as a building block for the preparation of related anisole-based compounds used in specialty chemicals. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 687.64
    methanol 574.02
    isopropanol 681.85
    water 2.65
    ethyl acetate 1283.2
    n-propanol 839.93
    acetone 1124.24
    n-butanol 743.12
    acetonitrile 972.73
    DMF 1333.64
    toluene 795.75
    isobutanol 698.16
    1,4-dioxane 2184.84
    methyl acetate 1161.53
    THF 2460.68
    2-butanone 1002.72
    n-pentanol 415.16
    sec-butanol 711.22
    n-hexane 310.93
    ethylene glycol 259.65
    NMP 1170.34
    cyclohexane 804.25
    DMSO 660.96
    n-butyl acetate 688.34
    n-octanol 330.58
    chloroform 3562.43
    n-propyl acetate 581.98
    acetic acid 979.62
    dichloromethane 2528.16
    cyclohexanone 1887.97
    propylene glycol 334.17
    isopropyl acetate 757.9
    DMAc 887.27
    2-ethoxyethanol 607.71
    isopentanol 559.09
    n-heptane 218.56
    ethyl formate 751.93
    1,2-dichloroethane 1790.56
    n-hexanol 749.27
    2-methoxyethanol 1110.79
    isobutyl acetate 422.93
    tetrachloromethane 878.86
    n-pentyl acetate 400.85
    transcutol 947.11
    n-heptanol 332.68
    ethylbenzene 404.9
    MIBK 563.47
    2-propoxyethanol 918.85
    tert-butanol 1004.07
    MTBE 1092.1
    2-butoxyethanol 456.72
    propionic acid 848.99
    o-xylene 496.47
    formic acid 276.54
    diethyl ether 1215.05
    m-xylene 566.83
    p-xylene 518.47
    chlorobenzene 928.02
    dimethyl carbonate 551.17
    n-octane 91.71
    formamide 361.67
    cyclopentanone 1799.73
    2-pentanone 907.57
    anisole 612.79
    cyclopentyl methyl ether 1525.87
    gamma-butyrolactone 1995.18
    1-methoxy-2-propanol 861.76
    pyridine 1096.64
    3-pentanone 851.14
    furfural 1241.71
    n-dodecane 58.63
    diethylene glycol 628.03
    diisopropyl ether 423.05
    tert-amyl alcohol 764.76
    acetylacetone 928.25
    n-hexadecane 68.38
    acetophenone 504.85
    methyl propionate 1026.34
    isopentyl acetate 607.08
    trichloroethylene 2970.78
    n-nonanol 276.86
    cyclohexanol 1247.07
    benzyl alcohol 426.82
    2-ethylhexanol 427.46
    isooctanol 265.3
    dipropyl ether 590.81
    1,2-dichlorobenzene 807.27
    ethyl lactate 295.77
    propylene carbonate 1212.95
    n-methylformamide 660.11
    2-pentanol 581.52
    n-pentane 284.14
    1-propoxy-2-propanol 586.75
    1-methoxy-2-propyl acetate 670.17
    2-(2-methoxypropoxy) propanol 321.62
    mesitylene 381.04
    ε-caprolactone 1457.25
    p-cymene 239.86
    epichlorohydrin 2051.72
    1,1,1-trichloroethane 2387.42
    2-aminoethanol 387.56
    morpholine-4-carbaldehyde 1136.0
    sulfolane 1597.36
    2,2,4-trimethylpentane 143.81
    2-methyltetrahydrofuran 1889.66
    n-hexyl acetate 643.44
    isooctane 112.2
    2-(2-butoxyethoxy)ethanol 452.83
    sec-butyl acetate 437.02
    tert-butyl acetate 789.03
    decalin 229.27
    glycerin 418.38
    diglyme 929.75
    acrylic acid 685.5
    isopropyl myristate 246.62
    n-butyric acid 1118.86
    acetyl acetate 933.32
    di(2-ethylhexyl) phthalate 192.01
    ethyl propionate 599.78
    nitromethane 1352.17
    1,2-diethoxyethane 503.3
    benzonitrile 584.43
    trioctyl phosphate 173.06
    1-bromopropane 1197.38
    gamma-valerolactone 1735.92
    n-decanol 199.48
    triethyl phosphate 257.4
    4-methyl-2-pentanol 325.41
    propionitrile 829.96
    vinylene carbonate 1059.95
    1,1,2-trichlorotrifluoroethane 1253.75
    DMS 537.32
    cumene 271.11
    2-octanol 251.63
    2-hexanone 509.4
    octyl acetate 306.32
    limonene 383.18
    1,2-dimethoxyethane 1040.22
    ethyl orthosilicate 253.32
    tributyl phosphate 204.75
    diacetone alcohol 673.25
    N,N-dimethylaniline 388.58
    acrylonitrile 856.09
    aniline 680.95
    1,3-propanediol 596.95
    bromobenzene 1016.09
    dibromomethane 1879.07
    1,1,2,2-tetrachloroethane 2604.52
    2-methyl-cyclohexyl acetate 419.5
    tetrabutyl urea 237.8
    diisobutyl methanol 235.87
    2-phenylethanol 482.74
    styrene 453.11
    dioctyl adipate 302.02
    dimethyl sulfate 696.48
    ethyl butyrate 506.04
    methyl lactate 467.54
    butyl lactate 286.92
    diethyl carbonate 372.98
    propanediol butyl ether 350.55
    triethyl orthoformate 357.47
    p-tert-butyltoluene 257.72
    methyl 4-tert-butylbenzoate 434.24
    morpholine 1966.87
    tert-butylamine 673.57
    n-dodecanol 154.15
    dimethoxymethane 1058.02
    ethylene carbonate 1017.71
    cyrene 406.99
    2-ethoxyethyl acetate 479.2
    2-ethylhexyl acetate 526.69
    1,2,4-trichlorobenzene 883.39
    4-methylpyridine 1140.9
    dibutyl ether 396.14
    2,6-dimethyl-4-heptanol 235.87
    DEF 939.37
    dimethyl isosorbide 633.57
    tetrachloroethylene 1677.37
    eugenol 348.72
    triacetin 481.19
    span 80 329.3
    1,4-butanediol 240.34
    1,1-dichloroethane 2000.29
    2-methyl-1-pentanol 372.65
    methyl formate 689.88
    2-methyl-1-butanol 629.48
    n-decane 106.53
    butyronitrile 864.89
    3,7-dimethyl-1-octanol 266.13
    1-chlorooctane 341.34
    1-chlorotetradecane 128.57
    n-nonane 120.98
    undecane 75.33
    tert-butylcyclohexane 193.49
    cyclooctane 267.8
    cyclopentanol 1165.99
    tetrahydropyran 2331.94
    tert-amyl methyl ether 790.08
    2,5,8-trioxanonane 533.08
    1-hexene 531.56
    2-isopropoxyethanol 446.6
    2,2,2-trifluoroethanol 502.13
    methyl butyrate 720.49

    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