2,3,4,6-Tetrachloroanisole

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  • Identifiers

    CAS number
    938-22-7

    Molecular formula
    C7H4Cl4O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 40.91%
    Burnt 32.81%
    Odorless 32.33%
    Smoky 28.76%
    Woody 27.32%
    Spicy 26.95%
    Dry 24.69%
    Musk 22.6%
    Animal 22.21%
    Sweet 21.52%

     

    Flavor
    Bitter 60.59%
    Odorless 31.95%
    Mild 26.06%
    Roasted 22.74%
    Bland 21.92%
    Sweet-like 21.27%
    Scallion 20.53%
    Very strong 20.43%
    Soybean 20.26%
    Nitrile 20.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    4.0 (weak acid)

    Molecular weight
    245.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    294°C

    Melting point expt.

    • 64 - 65 °C

    Flash point

    • 110.21 ˚C est.

  • Synonyms

    • 2,3,4,6-TETRACHLOROANISOLE
    • 938-22-7
    • 1,2,3,5-Tetrachloro-4-methoxybenzene
    • Benzene, 1,2,3,5-tetrachloro-4-methoxy-
    • Anisole, 2,3,4,6-tetrachloro-
    • 2,4,5,6-Tetrachloroanisole
    • UNII-SJ2G6F3F2Y
    • SJ2G6F3F2Y
    • 1,2,3,5-Tetrachloro-4-methoxy-Benzene
    • DTXSID80239654
    • methyl 2,3,4,6-tetrachlorophenyl ether
    • Anisole, 2,3,4,6-tetrachloro- (7CI,8CI); 1,2,3,5-Tetrachloro-4-methoxybenzene; 2,3,4,6-Tetrachloroanisole; 2,4,5,6-Tetrachloroanisole
    • SCHEMBL481060
    • 2,3,4,6-Tetrachloro-Anisole
    • DTXCID30162145
    • CHEBI:178118
    • BS-52421
    • FT146474
    • 1,2,3,5-Tetrachloro-4-methoxybenzene #
    • NS00122366
    • C13371
    • AH-034/32830058
    • Q27289235
    • 2,3,4,6-Tetrachloroanisole 100 microg/mL in Hexane/Acetone 9:1

  • Applications

    2,3,4,6-Tetrachloroanisole is a highly chlorinated aromatic ether that is typically encountered as an odor-active impurity in fragrance and flavor contexts and as a contaminant associated with cork taint in wine and with packaging materials used in the food and beverage chain. In industrial settings it can serve as an intermediate in the synthesis of chlorinated aromatics and is studied as a reference compound for odorant behavior and volatilization. It is also monitored in environmental and wastewater analyses due to its persistence and potential for bioaccumulation, and may appear as a trace component in coatings and inks where odor control and formulation purity are important.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.3
    methanol 60.59
    isopropanol 54.17
    water 0.17
    ethyl acetate 395.78
    n-propanol 67.67
    acetone 381.51
    n-butanol 80.41
    acetonitrile 193.34
    DMF 366.62
    toluene 277.21
    isobutanol 56.67
    1,4-dioxane 660.07
    methyl acetate 318.84
    THF 1026.07
    2-butanone 257.49
    n-pentanol 84.81
    sec-butanol 64.2
    n-hexane 46.29
    ethylene glycol 27.16
    NMP 479.43
    cyclohexane 123.56
    DMSO 287.59
    n-butyl acetate 319.79
    n-octanol 69.33
    chloroform 868.5
    n-propyl acetate 281.69
    acetic acid 178.36
    dichloromethane 838.15
    cyclohexanone 423.06
    propylene glycol 21.75
    isopropyl acetate 251.06
    DMAc 334.84
    2-ethoxyethanol 219.85
    isopentanol 83.49
    n-heptane 84.12
    ethyl formate 234.62
    1,2-dichloroethane 443.12
    n-hexanol 112.85
    2-methoxyethanol 252.03
    isobutyl acetate 173.51
    tetrachloromethane 263.16
    n-pentyl acetate 201.9
    transcutol 509.35
    n-heptanol 72.91
    ethylbenzene 167.41
    MIBK 195.99
    2-propoxyethanol 254.1
    tert-butanol 95.33
    MTBE 210.4
    2-butoxyethanol 156.89
    propionic acid 80.9
    o-xylene 165.58
    formic acid 61.29
    diethyl ether 277.92
    m-xylene 197.13
    p-xylene 188.86
    chlorobenzene 287.13
    dimethyl carbonate 221.73
    n-octane 33.73
    formamide 137.95
    cyclopentanone 527.1
    2-pentanone 275.02
    anisole 374.88
    cyclopentyl methyl ether 477.53
    gamma-butyrolactone 576.32
    1-methoxy-2-propanol 172.09
    pyridine 490.68
    3-pentanone 234.95
    furfural 675.63
    n-dodecane 22.64
    diethylene glycol 185.94
    diisopropyl ether 132.94
    tert-amyl alcohol 95.53
    acetylacetone 528.73
    n-hexadecane 26.74
    acetophenone 301.55
    methyl propionate 269.04
    isopentyl acetate 261.91
    trichloroethylene 1029.73
    n-nonanol 70.93
    cyclohexanol 145.22
    benzyl alcohol 194.09
    2-ethylhexanol 119.65
    isooctanol 68.94
    dipropyl ether 246.38
    1,2-dichlorobenzene 286.8
    ethyl lactate 101.29
    propylene carbonate 350.27
    n-methylformamide 172.22
    2-pentanol 68.57
    n-pentane 44.36
    1-propoxy-2-propanol 192.17
    1-methoxy-2-propyl acetate 339.52
    2-(2-methoxypropoxy) propanol 171.44
    mesitylene 141.63
    ε-caprolactone 393.1
    p-cymene 140.32
    epichlorohydrin 774.39
    1,1,1-trichloroethane 606.4
    2-aminoethanol 40.85
    morpholine-4-carbaldehyde 573.5
    sulfolane 467.66
    2,2,4-trimethylpentane 31.14
    2-methyltetrahydrofuran 628.27
    n-hexyl acetate 201.36
    isooctane 28.85
    2-(2-butoxyethoxy)ethanol 224.49
    sec-butyl acetate 196.92
    tert-butyl acetate 297.45
    decalin 66.47
    glycerin 44.74
    diglyme 581.03
    acrylic acid 94.24
    isopropyl myristate 111.02
    n-butyric acid 145.98
    acetyl acetate 402.8
    di(2-ethylhexyl) phthalate 96.28
    ethyl propionate 257.65
    nitromethane 511.81
    1,2-diethoxyethane 368.45
    benzonitrile 273.68
    trioctyl phosphate 68.99
    1-bromopropane 251.51
    gamma-valerolactone 655.43
    n-decanol 56.95
    triethyl phosphate 159.72
    4-methyl-2-pentanol 60.1
    propionitrile 134.19
    vinylene carbonate 349.51
    1,1,2-trichlorotrifluoroethane 445.88
    DMS 223.37
    cumene 109.42
    2-octanol 57.82
    2-hexanone 234.06
    octyl acetate 122.43
    limonene 194.0
    1,2-dimethoxyethane 568.76
    ethyl orthosilicate 165.4
    tributyl phosphate 87.87
    diacetone alcohol 222.83
    N,N-dimethylaniline 229.07
    acrylonitrile 189.06
    aniline 202.45
    1,3-propanediol 78.85
    bromobenzene 353.49
    dibromomethane 532.57
    1,1,2,2-tetrachloroethane 601.9
    2-methyl-cyclohexyl acetate 226.87
    tetrabutyl urea 120.73
    diisobutyl methanol 89.66
    2-phenylethanol 212.07
    styrene 213.37
    dioctyl adipate 156.22
    dimethyl sulfate 273.44
    ethyl butyrate 295.72
    methyl lactate 107.43
    butyl lactate 107.55
    diethyl carbonate 221.35
    propanediol butyl ether 87.96
    triethyl orthoformate 233.23
    p-tert-butyltoluene 142.03
    methyl 4-tert-butylbenzoate 216.88
    morpholine 517.65
    tert-butylamine 70.58
    n-dodecanol 48.64
    dimethoxymethane 441.79
    ethylene carbonate 280.41
    cyrene 245.86
    2-ethoxyethyl acetate 303.4
    2-ethylhexyl acetate 245.14
    1,2,4-trichlorobenzene 321.55
    4-methylpyridine 438.19
    dibutyl ether 166.29
    2,6-dimethyl-4-heptanol 89.66
    DEF 356.06
    dimethyl isosorbide 448.09
    tetrachloroethylene 498.35
    eugenol 210.76
    triacetin 223.81
    span 80 134.73
    1,4-butanediol 44.9
    1,1-dichloroethane 373.9
    2-methyl-1-pentanol 93.09
    methyl formate 230.52
    2-methyl-1-butanol 75.8
    n-decane 36.4
    butyronitrile 155.66
    3,7-dimethyl-1-octanol 85.14
    1-chlorooctane 100.59
    1-chlorotetradecane 49.83
    n-nonane 35.77
    undecane 27.89
    tert-butylcyclohexane 51.02
    cyclooctane 70.8
    cyclopentanol 150.41
    tetrahydropyran 483.2
    tert-amyl methyl ether 196.72
    2,5,8-trioxanonane 385.35
    1-hexene 101.47
    2-isopropoxyethanol 171.76
    2,2,2-trifluoroethanol 119.14
    methyl butyrate 292.2

    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