2,4,6-Tribromophenol

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  • Identifiers

    CAS number
    118-79-6

    Molecular formula
    C6H3Br3O

    SMILES
    C1=C(C=C(C(=C1Br)O)Br)Br

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 44.29%
    Phenolic 41.31%
    Burnt 35.87%
    Smoky 29.9%
    Meaty 27.38%
    Savory 22.36%
    Spicy 21.49%
    Medicinal 20.99%
    Animal 19.94%
    Roasted 19.18%

     

    Flavor
    Bitter 52.54%
    Odorless 31.43%
    Mild 29.13%
    Meaty 20.56%
    Scallion 20.01%
    Very strong 19.94%
    Nitrile 19.91%
    Sweet-like 19.88%
    Roasted 19.81%
    Rotten 19.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    5.72 (weak acid)

    Molecular weight
    330.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 203 to 205 °F (NTP, 1992)
    • 95.5 °C
    • 94-96 °C
    • 87 - 89 °C

    Boiling point

    • 471 °F at 760 mmHg (Sublimes at 540-554 °F at 764 mmHg) (NTP, 1992)
    • 286 °C

    Flash point

    • 107.02 ˚C est.

    Solubility expt.

    • Slightly soluble (1-10 mg/ml) (NTP, 1992)
    • 70 mg/L (at 15 °C)
    • Sol in alcohol, chloroform, ether, glycerol oils
    • Very soluble in ethanol; soluble in ether, benzene, carbon tetrachloride, chloroform, acetic acid
    • Sol in caustic alkaline solutions
    • In water, 70 mg/L at 15 °C
    • 0.07 mg/mL at 15 °C
    • Solubility in water, g/100ml at 25 °C: 0.007

  • Synonyms

    • 2,4,6-tribromophenol
    • 118-79-6
    • Tribromophenol
    • Bromol
    • Bromkal pur 3
    • Phenol, 2,4,6-tribromo-
    • Flammex 3BP
    • Xeroform
    • C6H3Br3O
    • TA 10
    • NSC 2136
    • Great lakes PH-73
    • CCRIS 1658
    • HSDB 5584
    • Tribromophenol, 2,4,6-
    • BISMUTH TRIBROMOPHENATE
    • EINECS 204-278-6
    • UNII-YS6K3EU393
    • 2,4,6-TBP
    • YS6K3EU393
    • DTXSID6021959
    • CHEBI:47696
    • 2,4,6-tribromphenol
    • AI3-14896
    • Emery 9332
    • NSC-2136
    • 2,4,6-tribromo-phenol
    • DTXCID001959
    • EC 204-278-6
    • 1,3,5-Tribromo-2-hydroxybenzene
    • PH 73
    • 2,4,6-TRIBROMOPHENOL [MI]
    • FR-613
    • 2,4,6-TRIBROMOPHENOL [HSDB]
    • 5175-83-7 (bismuth(3+) salt)
    • NCGC00091183-02
    • 2,4,6-TRIBROMO-1-HYDROXYBENZENE
    • 2,4,6-Tribromophenol 10 microg/mL in Methanol
    • 2,4,6-Tribromophenol 100 microg/mL in Methanol
    • 2,4,6-Tribromophenol 10 microg/mL in Cyclohexane
    • CAS-118-79-6
    • 2,6-Tribromophenol
    • MFCD00002150
    • 1e5a
    • Phenol,4,6-tribromo-
    • 2,4,6--tribromophenol
    • 2,4,6-tribromophenol, bismuth (3+) salt
    • Phenol, 2,4,6tribromo
    • WLN: QR BE DE FE
    • SCHEMBL18224
    • 2,4,6-tris(bromanyl)phenol
    • MLS002152858
    • BIDD:ER0321
    • CHEMBL220087
    • 2,4,6-Tribromophenol, 99%
    • NSC2136
    • HMS3039E12
    • XTB19297
    • Tox21_111098
    • Tox21_201273
    • Tox21_302972
    • BR1213
    • AKOS000118987
    • Tox21_111098_1
    • DB02417
    • DS-5785
    • NCGC00091183-01
    • NCGC00091183-03
    • NCGC00091183-04
    • NCGC00256540-01
    • NCGC00258825-01
    • AC-11252
    • SMR001224482
    • 2,4,6-Tribromophenol, analytical standard
    • DB-023704
    • NS00004395
    • T0349
    • EN300-19294
    • D71085
    • AB00935055-03
    • A804101
    • AB-131/40896981
    • Q209180
    • 2,4,6-Tribromophenol 1000 microg/mL in Methanol
    • F8880-6205
    • Z104473444
    • 2,4,6-Tribromophenol, certified reference material, TraceCERT(R)
    • 204-278-6

  • Applications

    2,4,6-Tribromophenol (CAS 118-79-6) is primarily used as an industrial intermediate in the synthesis of brominated flame retardants and other brominated phenolic compounds for polymers. It serves as a building block or precursor for flame-retardant formulations used in plastics, coatings, textiles, and electronic materials. It is also an intermediate in producing brominated phenolic resins and specialty coatings and adhesives. In electronics and related industries, TBP-derived phenolics can contribute to fire safety and thermal stability in material systems. As a chemical precursor, it supports broader organobromine synthesis in industry, with applications governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.97
    methanol 4.13
    isopropanol 6.73
    water 0.07
    ethyl acetate 16.75
    n-propanol 9.69
    acetone 11.44
    n-butanol 10.41
    acetonitrile 7.53
    DMF 24.28
    toluene 22.89
    isobutanol 8.35
    1,4-dioxane 44.34
    methyl acetate 16.94
    THF 90.89
    2-butanone 18.03
    n-pentanol 16.58
    sec-butanol 11.82
    n-hexane 5.39
    ethylene glycol 3.03
    NMP 39.8
    cyclohexane 3.87
    DMSO 11.79
    n-butyl acetate 32.78
    n-octanol 26.8
    chloroform 22.78
    n-propyl acetate 25.63
    acetic acid 7.6
    dichloromethane 16.71
    cyclohexanone 24.94
    propylene glycol 4.11
    isopropyl acetate 19.66
    DMAc 34.53
    2-ethoxyethanol 32.94
    isopentanol 12.77
    n-heptane 12.79
    ethyl formate 9.97
    1,2-dichloroethane 12.03
    n-hexanol 26.46
    2-methoxyethanol 25.7
    isobutyl acetate 22.34
    tetrachloromethane 5.51
    n-pentyl acetate 33.44
    transcutol 89.11
    n-heptanol 23.64
    ethylbenzene 22.91
    MIBK 22.75
    2-propoxyethanol 47.92
    tert-butanol 12.8
    MTBE 26.01
    2-butoxyethanol 38.08
    propionic acid 6.55
    o-xylene 19.71
    formic acid 3.32
    diethyl ether 24.47
    m-xylene 23.57
    p-xylene 20.94
    chlorobenzene 12.75
    dimethyl carbonate 12.17
    n-octane 7.89
    formamide 7.02
    cyclopentanone 35.92
    2-pentanone 19.41
    anisole 41.85
    cyclopentyl methyl ether 52.55
    gamma-butyrolactone 36.27
    1-methoxy-2-propanol 26.25
    pyridine 31.74
    3-pentanone 16.05
    furfural 35.77
    n-dodecane 6.67
    diethylene glycol 25.67
    diisopropyl ether 16.96
    tert-amyl alcohol 17.66
    acetylacetone 23.14
    n-hexadecane 7.25
    acetophenone 33.66
    methyl propionate 16.88
    isopentyl acetate 34.16
    trichloroethylene 26.17
    n-nonanol 28.35
    cyclohexanol 15.29
    benzyl alcohol 24.3
    2-ethylhexanol 29.7
    isooctanol 24.64
    dipropyl ether 40.8
    1,2-dichlorobenzene 12.88
    ethyl lactate 16.15
    propylene carbonate 20.34
    n-methylformamide 10.84
    2-pentanol 13.02
    n-pentane 4.87
    1-propoxy-2-propanol 44.43
    1-methoxy-2-propyl acetate 43.49
    2-(2-methoxypropoxy) propanol 46.78
    mesitylene 16.79
    ε-caprolactone 31.23
    p-cymene 26.8
    epichlorohydrin 45.66
    1,1,1-trichloroethane 14.76
    2-aminoethanol 6.67
    morpholine-4-carbaldehyde 50.98
    sulfolane 31.34
    2,2,4-trimethylpentane 5.78
    2-methyltetrahydrofuran 61.1
    n-hexyl acetate 38.12
    isooctane 5.39
    2-(2-butoxyethoxy)ethanol 54.4
    sec-butyl acetate 24.86
    tert-butyl acetate 32.11
    decalin 6.39
    glycerin 7.15
    diglyme 81.93
    acrylic acid 6.84
    isopropyl myristate 26.94
    n-butyric acid 10.26
    acetyl acetate 11.79
    di(2-ethylhexyl) phthalate 19.99
    ethyl propionate 22.86
    nitromethane 13.97
    1,2-diethoxyethane 55.45
    benzonitrile 21.26
    trioctyl phosphate 17.7
    1-bromopropane 14.86
    gamma-valerolactone 46.27
    n-decanol 24.0
    triethyl phosphate 19.26
    4-methyl-2-pentanol 14.07
    propionitrile 10.58
    vinylene carbonate 16.09
    1,1,2-trichlorotrifluoroethane 30.99
    DMS 21.26
    cumene 19.77
    2-octanol 23.33
    2-hexanone 29.0
    octyl acetate 28.71
    limonene 32.05
    1,2-dimethoxyethane 58.2
    ethyl orthosilicate 22.65
    tributyl phosphate 17.39
    diacetone alcohol 33.28
    N,N-dimethylaniline 39.54
    acrylonitrile 12.31
    aniline 19.95
    1,3-propanediol 8.39
    bromobenzene 13.37
    dibromomethane 13.53
    1,1,2,2-tetrachloroethane 22.65
    2-methyl-cyclohexyl acetate 35.77
    tetrabutyl urea 28.24
    diisobutyl methanol 24.25
    2-phenylethanol 35.29
    styrene 20.28
    dioctyl adipate 30.32
    dimethyl sulfate 15.45
    ethyl butyrate 31.53
    methyl lactate 12.61
    butyl lactate 24.72
    diethyl carbonate 19.41
    propanediol butyl ether 29.24
    triethyl orthoformate 31.8
    p-tert-butyltoluene 28.2
    methyl 4-tert-butylbenzoate 40.69
    morpholine 48.32
    tert-butylamine 11.5
    n-dodecanol 20.21
    dimethoxymethane 35.2
    ethylene carbonate 12.78
    cyrene 43.27
    2-ethoxyethyl acetate 39.65
    2-ethylhexyl acetate 32.96
    1,2,4-trichlorobenzene 17.9
    4-methylpyridine 31.79
    dibutyl ether 35.58
    2,6-dimethyl-4-heptanol 24.25
    DEF 28.65
    dimethyl isosorbide 84.1
    tetrachloroethylene 13.97
    eugenol 42.36
    triacetin 32.61
    span 80 39.34
    1,4-butanediol 6.72
    1,1-dichloroethane 12.01
    2-methyl-1-pentanol 20.48
    methyl formate 9.37
    2-methyl-1-butanol 12.87
    n-decane 10.36
    butyronitrile 12.81
    3,7-dimethyl-1-octanol 28.69
    1-chlorooctane 22.49
    1-chlorotetradecane 12.62
    n-nonane 9.8
    undecane 8.1
    tert-butylcyclohexane 8.47
    cyclooctane 4.2
    cyclopentanol 18.23
    tetrahydropyran 38.23
    tert-amyl methyl ether 32.66
    2,5,8-trioxanonane 65.75
    1-hexene 16.33
    2-isopropoxyethanol 32.22
    2,2,2-trifluoroethanol 5.93
    methyl butyrate 24.85

    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