2,4,6-Tribromoanisole

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  • Identifiers

    CAS number
    607-99-8

    Molecular formula
    C7H5Br3O

    SMILES
    COC1=C(C=C(C=C1Br)Br)Br

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 38.44%
    Burnt 34.11%
    Smoky 30.17%
    Spicy 27.95%
    Odorless 27.12%
    Meaty 26.29%
    Fruity 25.82%
    Woody 25.13%
    Animal 24.07%
    Dry 23.52%

     

    Flavor
    Bitter 50.16%
    Mild 27.12%
    Odorless 26.92%
    Roasted 25.07%
    Meaty 22.7%
    Scallion 20.22%
    Orange flower 20.15%
    Very strong 19.97%
    Shellfish 19.96%
    Indole 19.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    4.34 (weak acid)

    Molecular weight
    344.83 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 88 °C

    Boiling point

    • 298 °C

    Flash point

    • 98.67 ˚C est.

    Solubility expt.

    • Slightly soluble in ethanol; very soluble in acetone and benzene; soluble in carbon tetrachloride

  • Synonyms

    • 2,4,6-TRIBROMOANISOLE
    • 607-99-8
    • 1,3,5-Tribromo-2-methoxybenzene
    • Anisole, 2,4,6-tribromo-
    • Benzene, 1,3,5-tribromo-2-methoxy-
    • Methyl 2,4,6-tribromophenyl ether
    • DO7M3M4LX5
    • NSC-2218
    • DTXSID1060558
    • TBA cpd
    • RefChem:82079
    • DTXCID1042865
    • 627-908-5
    • 1,3,5-tribromo-2-methoxy-benzene
    • MFCD00192510
    • UNII-DO7M3M4LX5
    • HSDB 7814
    • NSC2218
    • NSC 2218
    • 2,4,6-TBA
    • 2,6-Tribromoanisole
    • AI3-00641
    • Anisole,4,6-tribromo-
    • SCHEMBL301662
    • SCHEMBL28973883
    • 2,4,6-Tribromoanisole, 99%
    • Methyl 2,6-tribromophenyl ether
    • YXTRCOAFNXQTKL-UHFFFAOYSA-
    • Benzene,3,5-tribromo-2-methoxy-
    • BBL102160
    • SBB059068
    • STL555959
    • 1,3,5-Tribromo-2-methoxybenzene #
    • 2,4,6-TRIBROMOANISOLE [MI]
    • AKOS000277640
    • 2,4,6-TRIBROMOANISOLE [HSDB]
    • PS-10191
    • DB-053707
    • CS-0136295
    • NS00003721
    • ST51043357
    • T2301
    • D92594
    • 2,4,6-Tribromoanisole 10 microg/mL in Isooctane
    • F618904
    • 2,4,6-Tribromoanisole 1000 microg/mL in Methanol
    • Q4596770
    • 2,4,6-Tribromoanisole, PESTANAL(R), analytical standard
    • InChI=1/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
    • 607-99-8

  • Applications

    2,4,6-Tribromoanisole (CAS 607-99-8) is mainly used as an intermediate in the industrial synthesis of brominated aryl compounds, including derivatives used in flame-retardant formulations, dyes, and pigments. It can also serve as a precursor for brominated polymer/plastic additives intended to enhance fire performance and coloration. In coatings and inks, it may function as a building block for brominated resin components or related additives. Because of its volatility and distinctive odor, it is monitored in quality control and environmental analyses and is associated with cork taint issues in wine linked to brominated materials in packaging or wood treatment; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.72
    methanol 73.46
    isopropanol 59.9
    water 1.11
    ethyl acetate 208.84
    n-propanol 76.42
    acetone 203.91
    n-butanol 87.4
    acetonitrile 131.71
    DMF 191.9
    toluene 182.34
    isobutanol 62.25
    1,4-dioxane 511.75
    methyl acetate 178.97
    THF 703.68
    2-butanone 153.19
    n-pentanol 109.04
    sec-butanol 66.61
    n-hexane 54.72
    ethylene glycol 32.77
    NMP 324.37
    cyclohexane 100.25
    DMSO 203.92
    n-butyl acetate 237.24
    n-octanol 78.15
    chloroform 465.07
    n-propyl acetate 216.6
    acetic acid 166.95
    dichloromethane 446.83
    cyclohexanone 275.83
    propylene glycol 27.58
    isopropyl acetate 167.41
    DMAc 184.51
    2-ethoxyethanol 234.16
    isopentanol 87.21
    n-heptane 92.39
    ethyl formate 154.59
    1,2-dichloroethane 244.14
    n-hexanol 129.68
    2-methoxyethanol 231.35
    isobutyl acetate 171.79
    tetrachloromethane 126.83
    n-pentyl acetate 154.62
    transcutol 503.67
    n-heptanol 81.69
    ethylbenzene 127.35
    MIBK 151.17
    2-propoxyethanol 265.85
    tert-butanol 88.1
    MTBE 156.75
    2-butoxyethanol 165.29
    propionic acid 70.87
    o-xylene 120.41
    formic acid 77.25
    diethyl ether 217.34
    m-xylene 142.63
    p-xylene 136.42
    chlorobenzene 192.64
    dimethyl carbonate 128.05
    n-octane 40.16
    formamide 115.8
    cyclopentanone 321.62
    2-pentanone 172.79
    anisole 263.88
    cyclopentyl methyl ether 364.57
    gamma-butyrolactone 359.97
    1-methoxy-2-propanol 154.16
    pyridine 309.74
    3-pentanone 140.78
    furfural 417.92
    n-dodecane 28.18
    diethylene glycol 191.86
    diisopropyl ether 120.95
    tert-amyl alcohol 84.88
    acetylacetone 273.41
    n-hexadecane 32.65
    acetophenone 214.43
    methyl propionate 151.1
    isopentyl acetate 216.48
    trichloroethylene 436.44
    n-nonanol 81.76
    cyclohexanol 129.32
    benzyl alcohol 161.5
    2-ethylhexanol 136.09
    isooctanol 78.33
    dipropyl ether 250.79
    1,2-dichlorobenzene 190.9
    ethyl lactate 92.18
    propylene carbonate 244.57
    n-methylformamide 115.83
    2-pentanol 72.46
    n-pentane 48.41
    1-propoxy-2-propanol 200.91
    1-methoxy-2-propyl acetate 268.19
    2-(2-methoxypropoxy) propanol 174.49
    mesitylene 109.4
    ε-caprolactone 276.93
    p-cymene 127.14
    epichlorohydrin 467.53
    1,1,1-trichloroethane 262.78
    2-aminoethanol 51.63
    morpholine-4-carbaldehyde 431.31
    sulfolane 312.91
    2,2,4-trimethylpentane 34.28
    2-methyltetrahydrofuran 445.85
    n-hexyl acetate 163.08
    isooctane 32.16
    2-(2-butoxyethoxy)ethanol 226.95
    sec-butyl acetate 171.53
    tert-butyl acetate 218.11
    decalin 65.77
    glycerin 50.94
    diglyme 476.01
    acrylic acid 80.3
    isopropyl myristate 107.5
    n-butyric acid 116.55
    acetyl acetate 218.51
    di(2-ethylhexyl) phthalate 94.11
    ethyl propionate 184.1
    nitromethane 307.73
    1,2-diethoxyethane 327.72
    benzonitrile 187.25
    trioctyl phosphate 70.49
    1-bromopropane 167.49
    gamma-valerolactone 454.73
    n-decanol 68.76
    triethyl phosphate 140.25
    4-methyl-2-pentanol 63.84
    propionitrile 93.9
    vinylene carbonate 239.13
    1,1,2-trichlorotrifluoroethane 286.38
    DMS 167.03
    cumene 99.61
    2-octanol 62.58
    2-hexanone 194.96
    octyl acetate 117.57
    limonene 167.74
    1,2-dimethoxyethane 459.59
    ethyl orthosilicate 158.88
    tributyl phosphate 89.34
    diacetone alcohol 169.38
    N,N-dimethylaniline 190.02
    acrylonitrile 111.48
    aniline 155.32
    1,3-propanediol 84.32
    bromobenzene 214.76
    dibromomethane 301.92
    1,1,2,2-tetrachloroethane 302.69
    2-methyl-cyclohexyl acetate 204.96
    tetrabutyl urea 113.35
    diisobutyl methanol 101.12
    2-phenylethanol 187.6
    styrene 148.54
    dioctyl adipate 148.53
    dimethyl sulfate 155.02
    ethyl butyrate 240.24
    methyl lactate 77.71
    butyl lactate 98.97
    diethyl carbonate 169.8
    propanediol butyl ether 100.48
    triethyl orthoformate 220.4
    p-tert-butyltoluene 125.65
    methyl 4-tert-butylbenzoate 176.95
    morpholine 419.3
    tert-butylamine 70.17
    n-dodecanol 59.94
    dimethoxymethane 303.76
    ethylene carbonate 202.29
    cyrene 256.61
    2-ethoxyethyl acetate 233.42
    2-ethylhexyl acetate 210.29
    1,2,4-trichlorobenzene 215.66
    4-methylpyridine 266.7
    dibutyl ether 163.81
    2,6-dimethyl-4-heptanol 101.12
    DEF 202.0
    dimethyl isosorbide 407.93
    tetrachloroethylene 238.16
    eugenol 185.39
    triacetin 180.86
    span 80 145.87
    1,4-butanediol 57.95
    1,1-dichloroethane 198.58
    2-methyl-1-pentanol 109.62
    methyl formate 145.64
    2-methyl-1-butanol 78.58
    n-decane 43.06
    butyronitrile 123.61
    3,7-dimethyl-1-octanol 94.14
    1-chlorooctane 98.16
    1-chlorotetradecane 56.91
    n-nonane 41.03
    undecane 33.76
    tert-butylcyclohexane 57.37
    cyclooctane 60.29
    cyclopentanol 136.37
    tetrahydropyran 380.87
    tert-amyl methyl ether 153.33
    2,5,8-trioxanonane 352.34
    1-hexene 104.06
    2-isopropoxyethanol 190.89
    2,2,2-trifluoroethanol 102.19
    methyl butyrate 206.87

    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