Sulfobromophthalein

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  • Identifiers

    CAS number
    297-83-6

    Molecular formula
    C20H10Br4O10S2

    SMILES
    C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

  • Odor profile

    Fragrance
    Odorless 86.89%
    Savory 17.82%
    Bitter 17.27%
    Cooked 16.28%
    Burnt 15.38%
    Milky 13.31%
    Clean 12.8%
    Phenolic 12.46%
    Roasted 11.63%
    Meaty 11.53%

     

    Flavor
    Bitter 94.03%
    Odorless 34.23%
    Bland 24.7%
    Nitrile 19.6%
    Sweet-like 18.6%
    Cedarleaf 18.58%
    Very strong 18.19%
    Indole 17.91%
    Bread crust 17.62%
    Taco 17.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.22 (neutral)

    Molecular weight
    794.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1036°C

    Flash point

    • 341.78 ˚C est.

  • Synonyms

    • Sulfobromophthalein
    • 297-83-6
    • Sulphobromophthalein
    • 4,5,6,7-tetrabromo-3',3''-disulfophenolphthalein
    • Sulfobromophtalein
    • Sulfobromphthalein
    • Sulphobromophthalein [BAN]
    • Sulfobromophthalein free acid
    • 0C2P5QKL36
    • EINECS 206-047-5
    • Sulphobromophthalein (BAN)
    • CHEMBL574431
    • 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid
    • CHEBI:63836
    • SULFOBROMPHTHALEIN [WHO-DD]
    • Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-
    • DTXCID503621
    • NCGC00159391-02
    • NCGC00159391-03
    • UNII-0C2P5QKL36
    • 2-hydroxy-5-(4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzene-1-sulfonic acid
    • 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonic acid
    • SCHEMBL743910
    • DTXSID4075378
    • OHTXTCNTQJFRIG-UHFFFAOYSA-N
    • BDBM50300126
    • AKOS024387382
    • DB13215
    • Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-), disodium salt
    • NS00028778
    • D08548
    • SR-01000944702
    • SR-01000944702-1
    • Q27132840
    • 3,3'-(Tetrabromophthalidylidene)bis[6-hydroxybenzenesulfonic acid]
    • 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)-bis[6-hydroxy-benzenesulfonic acid]
    • 3,3'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxybenzenesulphonic) acid
    • 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid)
    • 5,5'-(4,5,6,7-Tetrabromo-3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxybenzenesulfonic acid)
    • Benzenesulfonic Acid, 3,3'-(4,5,6,7-Tetrabromo-3-Oxo-1(3H)-Isobenzofuranylidene)Bis(6-Hydroxy)-

  • Applications

    Sulfobromophthalein (CAS 297-83-6) is a water-soluble sulfonated phthalein dye primarily used as a diagnostic reagent in clinical chemistry. In practice it is employed in hepatic function testing to assess biliary excretion: after intravenous administration, its plasma clearance and biliary excretion are measured to evaluate liver function. It also serves as a chromogenic indicator or dye for spectrophotometric assays and other biochemical tests in laboratory settings. Additionally, it may be used as a tracer or signaling marker in research studies related to liver function and biliary processes. Given its aqueous solubility and distinctive absorbance properties, sulfobromophthalein is considered for analytical and assay development applications in chemical and biomedical laboratories.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.83
    methanol 6.52
    isopropanol 2.08
    water 0.06
    ethyl acetate 3.05
    n-propanol 3.81
    acetone 4.17
    n-butanol 1.97
    acetonitrile 1.82
    DMF 83.67
    toluene 0.89
    isobutanol 1.58
    1,4-dioxane 6.8
    methyl acetate 3.82
    THF 24.63
    2-butanone 6.06
    n-pentanol 1.39
    sec-butanol 2.3
    n-hexane 0.08
    ethylene glycol 6.23
    NMP 70.56
    cyclohexane 0.12
    DMSO 17.76
    n-butyl acetate 3.91
    n-octanol 1.58
    chloroform 2.25
    n-propyl acetate 3.24
    acetic acid 6.37
    dichloromethane 2.04
    cyclohexanone 7.32
    propylene glycol 7.49
    isopropyl acetate 2.3
    DMAc 52.41
    2-ethoxyethanol 11.85
    isopentanol 1.01
    n-heptane 0.16
    ethyl formate 3.8
    1,2-dichloroethane 1.45
    n-hexanol 1.53
    2-methoxyethanol 27.68
    isobutyl acetate 1.34
    tetrachloromethane 0.24
    n-pentyl acetate 3.91
    transcutol 15.68
    n-heptanol 1.81
    ethylbenzene 0.39
    MIBK 1.96
    2-propoxyethanol 17.75
    tert-butanol 1.26
    MTBE 1.18
    2-butoxyethanol 10.43
    propionic acid 5.05
    o-xylene 0.53
    formic acid 11.08
    diethyl ether 1.87
    m-xylene 0.55
    p-xylene 0.43
    chlorobenzene 0.55
    dimethyl carbonate 7.59
    n-octane 0.1
    formamide 17.31
    cyclopentanone 17.84
    2-pentanone 4.2
    anisole 1.91
    cyclopentyl methyl ether 5.28
    gamma-butyrolactone 21.73
    1-methoxy-2-propanol 23.77
    pyridine 7.29
    3-pentanone 3.37
    furfural 17.83
    n-dodecane 0.08
    diethylene glycol 15.88
    diisopropyl ether 0.4
    tert-amyl alcohol 1.62
    acetylacetone 6.34
    n-hexadecane 0.09
    acetophenone 3.25
    methyl propionate 6.81
    isopentyl acetate 2.27
    trichloroethylene 4.01
    n-nonanol 1.67
    cyclohexanol 1.68
    benzyl alcohol 2.72
    2-ethylhexanol 0.92
    isooctanol 1.13
    dipropyl ether 2.8
    1,2-dichlorobenzene 0.53
    ethyl lactate 5.6
    propylene carbonate 7.92
    n-methylformamide 23.48
    2-pentanol 1.25
    n-pentane 0.11
    1-propoxy-2-propanol 13.54
    1-methoxy-2-propyl acetate 10.28
    2-(2-methoxypropoxy) propanol 8.75
    mesitylene 0.3
    ε-caprolactone 8.53
    p-cymene 0.45
    epichlorohydrin 12.58
    1,1,1-trichloroethane 0.6
    2-aminoethanol 8.47
    morpholine-4-carbaldehyde 52.34
    sulfolane 30.6
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 6.18
    n-hexyl acetate 3.56
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 10.79
    sec-butyl acetate 1.7
    tert-butyl acetate 2.42
    decalin 0.05
    glycerin 19.18
    diglyme 18.36
    acrylic acid 7.03
    isopropyl myristate 1.32
    n-butyric acid 4.33
    acetyl acetate 1.7
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 3.28
    nitromethane 12.79
    1,2-diethoxyethane 4.29
    benzonitrile 1.83
    trioctyl phosphate 1.49
    1-bromopropane 0.84
    gamma-valerolactone 38.61
    n-decanol 1.18
    triethyl phosphate 1.74
    4-methyl-2-pentanol 0.58
    propionitrile 2.36
    vinylene carbonate 7.14
    1,1,2-trichlorotrifluoroethane 22.44
    DMS 4.67
    cumene 0.23
    2-octanol 1.3
    2-hexanone 3.15
    octyl acetate 2.16
    limonene 0.66
    1,2-dimethoxyethane 15.06
    ethyl orthosilicate 1.57
    tributyl phosphate 1.45
    diacetone alcohol 6.31
    N,N-dimethylaniline 2.07
    acrylonitrile 4.86
    aniline 2.36
    1,3-propanediol 7.13
    bromobenzene 0.41
    dibromomethane 1.04
    1,1,2,2-tetrachloroethane 3.49
    2-methyl-cyclohexyl acetate 2.53
    tetrabutyl urea 3.73
    diisobutyl methanol 0.56
    2-phenylethanol 3.07
    styrene 0.49
    dioctyl adipate 2.45
    dimethyl sulfate 13.13
    ethyl butyrate 3.35
    methyl lactate 14.17
    butyl lactate 6.97
    diethyl carbonate 1.96
    propanediol butyl ether 10.3
    triethyl orthoformate 3.17
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 5.26
    morpholine 14.45
    tert-butylamine 0.57
    n-dodecanol 0.81
    dimethoxymethane 28.83
    ethylene carbonate 4.66
    cyrene 13.88
    2-ethoxyethyl acetate 6.58
    2-ethylhexyl acetate 1.99
    1,2,4-trichlorobenzene 1.0
    4-methylpyridine 4.82
    dibutyl ether 1.34
    2,6-dimethyl-4-heptanol 0.56
    DEF 11.65
    dimethyl isosorbide 16.98
    tetrachloroethylene 2.03
    eugenol 7.61
    triacetin 5.77
    span 80 7.88
    1,4-butanediol 2.6
    1,1-dichloroethane 0.95
    2-methyl-1-pentanol 0.82
    methyl formate 14.73
    2-methyl-1-butanol 1.36
    n-decane 0.14
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 0.89
    1-chlorooctane 0.45
    1-chlorotetradecane 0.2
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.04
    cyclooctane 0.07
    cyclopentanol 4.04
    tetrahydropyran 4.07
    tert-amyl methyl ether 1.55
    2,5,8-trioxanonane 13.2
    1-hexene 0.36
    2-isopropoxyethanol 5.75
    2,2,2-trifluoroethanol 3.79
    methyl butyrate 4.31

    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