Tetrabromophenol blue

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4430-25-5

    Molecular formula
    C19H6Br8O5S

    SMILES
    C1=C(C=C(C(=C1Br)O)Br)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)Br

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Odorless 68.68%
    Burnt 23.57%
    Phenolic 21.02%
    Savory 20.21%
    Bitter 17.23%
    Meaty 16.75%
    Smoky 16.68%
    Cooked 15.48%
    Dry 14.63%
    Animal 14.27%

     

    Flavor
    Bitter 90.04%
    Odorless 33.66%
    Bland 22.13%
    Sweet-like 19.95%
    Nitrile 19.46%
    Very strong 19.13%
    Indole 18.64%
    Cedarleaf 18.57%
    Rotten 18.31%
    Scallion 18.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    7.96 (neutral)

    Molecular weight
    985.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    915°C

    Flash point

    • 302.8 ˚C est.

  • Synonyms

    • Tetrabromophenol blue
    • 4430-25-5
    • 4,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
    • MFCD00005876
    • Tetrabromphenol tetrabromsulfonphthalein
    • Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-
    • 2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
    • S6FO6931N7
    • NSC11236
    • NSC-11236
    • Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-
    • Tetrabromophenoltetrabromosulfophthalein
    • 4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromophenol) S,S-dioxide
    • Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-
    • 4,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxy-phenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
    • C19H6Br8O5S
    • CCRIS 5488
    • EINECS 224-622-9
    • NSC 11236
    • Tetrabromophenol blue, IND
    • UNII-S6FO6931N7
    • Tetrabromphenolblau
    • 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-4,5,6,7-tetrabromobenzo[c]1,2-oxathiolene -1,1-dione
    • Phenol, 4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide; Tetrabromophenol blue (6CI); 3H-2,1-Benzoxathiole, phenol deriv.; 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol]; NSC 11236
    • Tetrabromophenol blueTBPB
    • 3',3'',5',5''-Tetrabromophenol-4,5,6,7-tetrabromosulfonephthalein
    • SCHEMBL455075
    • orb2941083
    • DTXSID9063451
    • SCHEMBL29354659
    • CHEBI:176933
    • QPMIVFWZGPTDPN-UHFFFAOYSA-N
    • SBB057636
    • AKOS000813848
    • FT32314
    • HY-W140928
    • Benzenesulfonic acid, 2-(bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl)-3,4,5,6-tetrabromo-
    • BS-44190
    • SY048948
    • Tetrabromophenol Blue, Dye content 85 %
    • CS-0199426
    • NS00031408
    • ST51006742
    • T0039
    • A12530
    • C20588
    • 430T255
    • Q27288730
    • 3,3?,3?,4,5,5?,5?,6-Octabromophenolsulfonphthalein
    • 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1-benzoxathiole-1,1-dione
    • Benzenesulfonic acid,5-dibromo-4-hydroxyphenyl)hydroxymethyl]-3,4,5,6-tetrabromo-
    • 2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
    • 4,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
    • 4,5,6,7-tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-2,1lambda-benzoxathiole-1,1-dione
    • 4,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole1,1-dioxide
    • 4-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-4,5,6,7-tetrakis(bromanyl)-1,1-bis(oxidanylidene)-2,1lambda6-benzoxathiol-3-yl]-2,6-bis(bromanyl)phenol
    • Benzenesulfonic acid, {2-[bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl]-3,4,5,} 6-tetrabromo-
    • o-Toluenesulfonic acid, 3,4,5,6-tetrabromo-.alpha.,.alpha.-bis(3, 5-dibromo-4-hydroxyphenyl)-.alpha.-hydroxy-
    • o-Toluenesulfonic acid, 3,4,5,6-tetrabromo-.alpha.,.alpha.-bis(3,5-dibromo-4-hydroxyphenyl)-.alpha.-hydroxy-
    • o-Toluenesulfonic acid,4,5,6-tetrabromo-.alpha.,.alpha.-bis(3,5-dibromo-4-hydroxyphenyl)-.alpha.-hydroxy-
    • PHENOL, 4,4'-(4,5,6,7-TETRABROMO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2,6-DIBROMO-, S,S-DIOXIDE
    • 4430-25-5

  • Applications

    Tetrabromophenol blue (CAS 4430-25-5) is primarily used as a pH indicator in analytical chemistry, signaling endpoints in titrations and in buffer systems by a color change; it also serves as a colorant for inks, coatings, and polymer formulations to impart color; it functions as an intermediate in the production of brominated dye systems; and it may be evaluated as a colorimetric indicator in sensor applications or laboratory assays, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.64
    methanol 0.65
    isopropanol 0.29
    water 0.03
    ethyl acetate 0.66
    n-propanol 0.63
    acetone 0.67
    n-butanol 0.46
    acetonitrile 0.47
    DMF 7.17
    toluene 1.1
    isobutanol 0.39
    1,4-dioxane 2.14
    methyl acetate 0.68
    THF 7.37
    2-butanone 0.99
    n-pentanol 0.66
    sec-butanol 0.37
    n-hexane 0.08
    ethylene glycol 0.6
    NMP 10.38
    cyclohexane 0.1
    DMSO 1.42
    n-butyl acetate 1.89
    n-octanol 2.15
    chloroform 1.46
    n-propyl acetate 1.25
    acetic acid 0.72
    dichloromethane 1.16
    cyclohexanone 2.5
    propylene glycol 0.46
    isopropyl acetate 0.79
    DMAc 6.56
    2-ethoxyethanol 2.18
    isopentanol 0.39
    n-heptane 0.23
    ethyl formate 0.77
    1,2-dichloroethane 0.64
    n-hexanol 1.04
    2-methoxyethanol 2.96
    isobutyl acetate 1.12
    tetrachloromethane 0.2
    n-pentyl acetate 3.53
    transcutol 6.8
    n-heptanol 1.83
    ethylbenzene 0.86
    MIBK 0.96
    2-propoxyethanol 5.25
    tert-butanol 0.24
    MTBE 0.41
    2-butoxyethanol 4.82
    propionic acid 0.6
    o-xylene 0.85
    formic acid 1.06
    diethyl ether 0.57
    m-xylene 0.91
    p-xylene 0.9
    chlorobenzene 0.71
    dimethyl carbonate 1.7
    n-octane 0.23
    formamide 1.82
    cyclopentanone 4.83
    2-pentanone 1.07
    anisole 1.85
    cyclopentyl methyl ether 2.99
    gamma-butyrolactone 4.47
    1-methoxy-2-propanol 2.64
    pyridine 3.52
    3-pentanone 0.94
    furfural 4.72
    n-dodecane 0.23
    diethylene glycol 3.2
    diisopropyl ether 0.28
    tert-amyl alcohol 0.37
    acetylacetone 1.58
    n-hexadecane 0.27
    acetophenone 2.63
    methyl propionate 1.3
    isopentyl acetate 1.74
    trichloroethylene 1.97
    n-nonanol 2.48
    cyclohexanol 0.67
    benzyl alcohol 1.76
    2-ethylhexanol 1.14
    isooctanol 1.5
    dipropyl ether 1.75
    1,2-dichlorobenzene 0.79
    ethyl lactate 1.47
    propylene carbonate 2.09
    n-methylformamide 2.46
    2-pentanol 0.35
    n-pentane 0.07
    1-propoxy-2-propanol 4.34
    1-methoxy-2-propyl acetate 3.69
    2-(2-methoxypropoxy) propanol 4.78
    mesitylene 0.58
    ε-caprolactone 2.9
    p-cymene 1.23
    epichlorohydrin 3.67
    1,1,1-trichloroethane 0.38
    2-aminoethanol 0.92
    morpholine-4-carbaldehyde 9.97
    sulfolane 5.07
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 2.2
    n-hexyl acetate 4.07
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 6.08
    sec-butyl acetate 1.01
    tert-butyl acetate 1.13
    decalin 0.13
    glycerin 1.3
    diglyme 7.42
    acrylic acid 0.86
    isopropyl myristate 2.08
    n-butyric acid 0.76
    acetyl acetate 0.54
    di(2-ethylhexyl) phthalate 2.35
    ethyl propionate 1.22
    nitromethane 1.26
    1,2-diethoxyethane 2.79
    benzonitrile 1.92
    trioctyl phosphate 1.95
    1-bromopropane 0.48
    gamma-valerolactone 7.74
    n-decanol 1.83
    triethyl phosphate 1.14
    4-methyl-2-pentanol 0.32
    propionitrile 0.75
    vinylene carbonate 2.15
    1,1,2-trichlorotrifluoroethane 4.54
    DMS 2.54
    cumene 0.67
    2-octanol 1.65
    2-hexanone 1.5
    octyl acetate 2.61
    limonene 1.26
    1,2-dimethoxyethane 3.68
    ethyl orthosilicate 1.27
    tributyl phosphate 1.79
    diacetone alcohol 1.66
    N,N-dimethylaniline 2.58
    acrylonitrile 1.36
    aniline 1.34
    1,3-propanediol 0.89
    bromobenzene 0.75
    dibromomethane 0.73
    1,1,2,2-tetrachloroethane 1.61
    2-methyl-cyclohexyl acetate 2.35
    tetrabutyl urea 4.15
    diisobutyl methanol 0.67
    2-phenylethanol 2.77
    styrene 0.81
    dioctyl adipate 2.73
    dimethyl sulfate 2.27
    ethyl butyrate 1.65
    methyl lactate 1.86
    butyl lactate 3.98
    diethyl carbonate 0.99
    propanediol butyl ether 4.59
    triethyl orthoformate 2.11
    p-tert-butyltoluene 1.25
    methyl 4-tert-butylbenzoate 4.99
    morpholine 3.49
    tert-butylamine 0.18
    n-dodecanol 1.34
    dimethoxymethane 4.74
    ethylene carbonate 1.41
    cyrene 5.55
    2-ethoxyethyl acetate 4.14
    2-ethylhexyl acetate 1.8
    1,2,4-trichlorobenzene 1.25
    4-methylpyridine 2.73
    dibutyl ether 2.0
    2,6-dimethyl-4-heptanol 0.67
    DEF 2.83
    dimethyl isosorbide 10.78
    tetrachloroethylene 1.14
    eugenol 6.2
    triacetin 3.52
    span 80 4.88
    1,4-butanediol 0.58
    1,1-dichloroethane 0.39
    2-methyl-1-pentanol 0.58
    methyl formate 1.64
    2-methyl-1-butanol 0.45
    n-decane 0.39
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 1.35
    1-chlorooctane 1.17
    1-chlorotetradecane 0.6
    n-nonane 0.32
    undecane 0.29
    tert-butylcyclohexane 0.11
    cyclooctane 0.08
    cyclopentanol 1.16
    tetrahydropyran 1.47
    tert-amyl methyl ether 0.72
    2,5,8-trioxanonane 6.45
    1-hexene 0.32
    2-isopropoxyethanol 1.63
    2,2,2-trifluoroethanol 0.56
    methyl butyrate 1.52

    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