Tetrachloro-1,4-dimethoxybenzene

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  • Identifiers

    CAS number
    994-78-5

    Molecular formula
    C8H6Cl4O2

    SMILES
    COC1=C(C(=C(C(=C1Cl)Cl)OC)Cl)Cl

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.94%
    Burnt 35.56%
    Odorless 32.96%
    Smoky 30.69%
    Woody 29.48%
    Spicy 28.98%
    Dry 23.99%
    Balsamic 22.57%
    Medicinal 21.07%
    Powdery 21.04%

     

    Flavor
    Bitter 62.37%
    Odorless 31.09%
    Bland 25.04%
    Mild 24.4%
    Roasted 23.11%
    Sweet-like 22.24%
    Soybean 20.72%
    Scallion 20.46%
    Shellfish 20.37%
    Eugenol 20.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    4.42 (weak acid)

    Molecular weight
    275.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 141.66 ˚C est.

  • Synonyms

    • Tetrachloro-1,4-dimethoxybenzene
    • Drosophilin A methyl ether
    • RefChem:932783
    • 994-78-5
    • 1,2,4,5-Tetrachloro-3,6-dimethoxybenzene
    • 944-78-5
    • Tetrachlorohydroquinone dimethyl ether
    • 1,4-DIMETHOXYTETRACHLOROBENZENE
    • Benzene, 1,2,4,5-tetrachloro-3,6-dimethoxy-
    • 1,4-Dimethoxy-2,3,5,6-tetrachlorobenzene
    • MFCD22421619
    • Benzene, 1,2,3,5-tetrachloro-3,6-dimethoxy-
    • 1,2,4,5-Tetrachloro-3,6-dimethoxy-benzene
    • C8H6Cl4O2
    • orb1992656
    • orb2299462
    • SCHEMBL13880635
    • DTXSID70241468
    • CHEBI:197793
    • HICARXIPJINIRA-UHFFFAOYSA-N
    • AKOS015995111
    • FS-7826
    • DB-190703
    • Benzene 1,2,4,5-tetrachloro-3,6-dimethoxy
    • 1,2,4,5-Tetrachloro-3,6-dimethoxybenzene #
    • F31364
    • 1 pound not2 pound not4 pound not5-Tetrachloro-3 pound not6-dimethoxybenzene
    • 944-78-5

  • Applications

    Tetrachloro-1,4-dimethoxybenzene (CAS 994-78-5) is primarily used as an intermediate in organic synthesis for building more complex aromatic compounds. In industrial manufacturing, it serves as a building block for specialty chemicals, including dyes and pigments, and as a synthetic precursor in routes to agrochemicals and pharmaceutical intermediates. It may also be employed in coatings and ink formulations where halogenated aromatic motifs are desired, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.12
    methanol 4.31
    isopropanol 5.05
    water 0.02
    ethyl acetate 55.45
    n-propanol 6.79
    acetone 49.67
    n-butanol 7.1
    acetonitrile 26.66
    DMF 77.43
    toluene 62.76
    isobutanol 6.32
    1,4-dioxane 111.27
    methyl acetate 57.83
    THF 207.63
    2-butanone 42.06
    n-pentanol 7.45
    sec-butanol 6.49
    n-hexane 5.89
    ethylene glycol 3.8
    NMP 202.15
    cyclohexane 17.29
    DMSO 51.63
    n-butyl acetate 49.25
    n-octanol 9.66
    chloroform 139.27
    n-propyl acetate 36.39
    acetic acid 19.53
    dichloromethane 155.89
    cyclohexanone 98.76
    propylene glycol 2.86
    isopropyl acetate 37.66
    DMAc 92.11
    2-ethoxyethanol 21.67
    isopentanol 8.14
    n-heptane 10.12
    ethyl formate 33.47
    1,2-dichloroethane 97.04
    n-hexanol 14.02
    2-methoxyethanol 32.08
    isobutyl acetate 29.25
    tetrachloromethane 41.39
    n-pentyl acetate 34.36
    transcutol 41.88
    n-heptanol 10.55
    ethylbenzene 34.65
    MIBK 31.92
    2-propoxyethanol 37.61
    tert-butanol 9.72
    MTBE 26.01
    2-butoxyethanol 24.7
    propionic acid 13.92
    o-xylene 43.73
    formic acid 8.46
    diethyl ether 29.01
    m-xylene 44.31
    p-xylene 47.09
    chlorobenzene 82.15
    dimethyl carbonate 54.73
    n-octane 5.84
    formamide 20.63
    cyclopentanone 155.05
    2-pentanone 38.47
    anisole 66.99
    cyclopentyl methyl ether 102.71
    gamma-butyrolactone 193.76
    1-methoxy-2-propanol 22.36
    pyridine 120.68
    3-pentanone 43.25
    furfural 204.63
    n-dodecane 4.14
    diethylene glycol 28.75
    diisopropyl ether 17.97
    tert-amyl alcohol 10.69
    acetylacetone 92.27
    n-hexadecane 5.01
    acetophenone 68.64
    methyl propionate 51.5
    isopentyl acetate 49.23
    trichloroethylene 240.9
    n-nonanol 10.84
    cyclohexanol 19.28
    benzyl alcohol 32.08
    2-ethylhexanol 18.2
    isooctanol 10.83
    dipropyl ether 32.96
    1,2-dichlorobenzene 91.29
    ethyl lactate 16.84
    propylene carbonate 106.0
    n-methylformamide 30.52
    2-pentanol 6.74
    n-pentane 4.68
    1-propoxy-2-propanol 28.11
    1-methoxy-2-propyl acetate 71.35
    2-(2-methoxypropoxy) propanol 28.45
    mesitylene 31.77
    ε-caprolactone 90.47
    p-cymene 34.23
    epichlorohydrin 200.59
    1,1,1-trichloroethane 117.47
    2-aminoethanol 5.45
    morpholine-4-carbaldehyde 163.2
    sulfolane 193.18
    2,2,4-trimethylpentane 5.25
    2-methyltetrahydrofuran 119.88
    n-hexyl acetate 35.31
    isooctane 4.28
    2-(2-butoxyethoxy)ethanol 29.13
    sec-butyl acetate 28.91
    tert-butyl acetate 53.36
    decalin 13.8
    glycerin 7.89
    diglyme 80.96
    acrylic acid 19.75
    isopropyl myristate 21.53
    n-butyric acid 19.66
    acetyl acetate 65.21
    di(2-ethylhexyl) phthalate 23.46
    ethyl propionate 38.05
    nitromethane 84.54
    1,2-diethoxyethane 40.5
    benzonitrile 59.13
    trioctyl phosphate 15.98
    1-bromopropane 36.52
    gamma-valerolactone 180.83
    n-decanol 9.21
    triethyl phosphate 36.57
    4-methyl-2-pentanol 7.04
    propionitrile 21.01
    vinylene carbonate 94.87
    1,1,2-trichlorotrifluoroethane 117.49
    DMS 62.97
    cumene 25.3
    2-octanol 8.39
    2-hexanone 33.0
    octyl acetate 24.26
    limonene 43.82
    1,2-dimethoxyethane 64.48
    ethyl orthosilicate 35.58
    tributyl phosphate 18.99
    diacetone alcohol 38.72
    N,N-dimethylaniline 55.2
    acrylonitrile 34.2
    aniline 43.58
    1,3-propanediol 8.27
    bromobenzene 108.38
    dibromomethane 89.82
    1,1,2,2-tetrachloroethane 146.4
    2-methyl-cyclohexyl acetate 54.66
    tetrabutyl urea 29.16
    diisobutyl methanol 14.25
    2-phenylethanol 44.38
    styrene 40.33
    dioctyl adipate 32.56
    dimethyl sulfate 96.01
    ethyl butyrate 45.11
    methyl lactate 23.49
    butyl lactate 18.77
    diethyl carbonate 38.11
    propanediol butyl ether 13.03
    triethyl orthoformate 40.92
    p-tert-butyltoluene 35.73
    methyl 4-tert-butylbenzoate 55.3
    morpholine 86.82
    tert-butylamine 7.86
    n-dodecanol 8.0
    dimethoxymethane 72.81
    ethylene carbonate 69.54
    cyrene 62.21
    2-ethoxyethyl acetate 54.87
    2-ethylhexyl acetate 48.08
    1,2,4-trichlorobenzene 120.06
    4-methylpyridine 102.3
    dibutyl ether 21.21
    2,6-dimethyl-4-heptanol 14.25
    DEF 63.0
    dimethyl isosorbide 116.77
    tetrachloroethylene 121.52
    eugenol 44.83
    triacetin 45.9
    span 80 23.18
    1,4-butanediol 4.57
    1,1-dichloroethane 60.64
    2-methyl-1-pentanol 9.52
    methyl formate 43.02
    2-methyl-1-butanol 7.74
    n-decane 6.27
    butyronitrile 19.62
    3,7-dimethyl-1-octanol 12.81
    1-chlorooctane 17.03
    1-chlorotetradecane 9.68
    n-nonane 5.93
    undecane 5.02
    tert-butylcyclohexane 10.2
    cyclooctane 10.52
    cyclopentanol 27.64
    tetrahydropyran 72.87
    tert-amyl methyl ether 29.34
    2,5,8-trioxanonane 55.94
    1-hexene 12.0
    2-isopropoxyethanol 19.6
    2,2,2-trifluoroethanol 19.23
    methyl butyrate 42.7

    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