Bromophenol Blue

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  • Identifiers

    CAS number
    115-39-9

    Molecular formula
    C19H10Br4O5S

    SMILES
    C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.6%
    Burnt 24.03%
    Phenolic 23.2%
    Savory 21.89%
    Bitter 20.15%
    Meaty 18.06%
    Cooked 17.93%
    Smoky 17.08%
    Roasted 15.09%
    Milky 14.72%

     

    Flavor
    Bitter 92.52%
    Odorless 29.15%
    Bland 19.6%
    Nitrile 19.52%
    Sweet-like 19.44%
    Very strong 19.33%
    Cedarleaf 19.06%
    Indole 18.88%
    Orange flower 18.21%
    Bread crust 18.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    8.47 (weak base)

    Molecular weight
    670.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    820°C

    Melting point expt.

    • Decomposes at 279 °C (An orange discoloration with formation of a green sublimate sets in at 210 °C)

    Flash point

    • 259.68 ˚C est.

    Solubility expt.

    • Soluble in acetic acid
    • Soluble in water (about 0.4 g/100 mL); more soluble in methyl and ethyl alcohol, and in benzene. Freely soluble in NaOH solutions with the formation of a water-soluble sodium salt.
    • In water, 3 mg/mL

  • Synonyms

    • Bromophenol blue
    • 115-39-9
    • BROMPHENOL BLUE
    • Albutest
    • Tetrabromphenol Blue
    • 3,3',5,5'-Tetrabromophenolsulfonphthalein
    • 3',3'',5',5''-Tetrabromophenolsulfonephthalein
    • DTXSID6041682
    • NSC-7818
    • 3',3'',5',5''-Tetrabromophenolsulfophthalein
    • 0R2969YC90
    • DTXCID4021682
    • CHEBI:59424
    • Blue, Bromphenol
    • Blue, Bromophenol
    • Blue, Tetrabromophenol
    • RefChem:5618
    • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo)-, S,S-dioxide
    • 204-086-2
    • MFCD00005875
    • C19H10Br4O5S
    • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-
    • Bromophenol Blue solution
    • Bromophenol blue solution R2
    • Bromphenol Blue Sultone Form
    • Bromophenol blue (sodium salt)
    • NSC7818
    • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-
    • Bromophenol blue indicator (3.0-4.6)
    • Albutest;NSC 7818; Tetrabromophenolsulfophthalein
    • Bromophenol Blue (Technical Grade)
    • 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
    • 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol)
    • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide
    • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide
    • CCRIS 5487
    • NSC 7818
    • EINECS 204-086-2
    • 3,3',5,5'-Tetrabromophenolsulfonphthalein; Albutest
    • BRN 0061698
    • Brophenol Blue
    • AI3-52697
    • UNII-0R2969YC90
    • HSDB 7728
    • Bromophenol blue indicator
    • Bromophenol Blue ACS Grade
    • SCHEMBL19631
    • BROMPHENOL BLUE [MI]
    • Tetrabromophenolsulfonphthalein
    • 5-19-03-00458 (Beilstein Handbook Reference)
    • Bromophenol Blue, ACS reagent
    • bromophenol blue, sultone form
    • orb1306336
    • BROMOPHENOL BLUE [HSDB]
    • CHEMBL2103765
    • SCHEMBL29363309
    • BDBM85044
    • Bromophenol Blue, ACS reagent, EP
    • CAS_8272
    • HY-B1571
    • NSC_8272
    • Bromophenol Blue, JIS special grade
    • Tox21_302080
    • HB0718
    • STL453501
    • AKOS000813838
    • 3,5,5'-Tetrabromophenolsulfonphthalein
    • Bromophenol Blue, electrophoresis grade
    • FB01466
    • HY-W110798
    • NCGC00255409-01
    • 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
    • AC-12376
    • CAS-115-39-9
    • CAS_115-39-9
    • SY010383
    • DB-041264
    • 3',5',5''-Tetrabromophenolsulfonephthalein
    • B0118
    • B0631
    • CS-0013463
    • CS-0169194
    • NS00001368
    • ST51039871
    • H10711
    • A803432
    • F859366
    • Q421129
    • 3,3-bis(3,5-dibromo-4-hydroxyphenyl)benzo[c]1,2-oxathiolene-1,1-dione
    • 4,4-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-phenol]
    • Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide
    • 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
    • 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2,6-DIBROMOPHENOL)
    • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,6-dibromophenol), S,S-dioxide-
    • 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
    • 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol
    • 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
    • 4,4 inverted exclamation marka-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol]
    • 4-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)phenol
    • 115-39-9

  • Applications

    Bromophenol Blue (CAS 115-39-9) is primarily used as a pH indicator in analytical chemistry, aiding the monitoring of acid–base changes in titrations and colorimetric assays; it is widely employed as a tracking dye in gel electrophoresis (agarose or polyacrylamide) to monitor the migration of samples in DNA, RNA, or protein separations; it also serves as a colorimetric indicator in thin-layer chromatography and paper chromatography for qualitative analysis; and it is commonly used in educational and research laboratories to illustrate acid–base indicators and electrophoretic techniques.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.27
    methanol 1.39
    isopropanol 0.61
    water 0.05
    ethyl acetate 1.38
    n-propanol 1.26
    acetone 1.72
    n-butanol 0.94
    acetonitrile 1.09
    DMF 24.79
    toluene 1.26
    isobutanol 0.76
    1,4-dioxane 4.38
    methyl acetate 1.47
    THF 19.13
    2-butanone 2.26
    n-pentanol 1.28
    sec-butanol 0.79
    n-hexane 0.09
    ethylene glycol 1.09
    NMP 23.94
    cyclohexane 0.11
    DMSO 4.51
    n-butyl acetate 3.96
    n-octanol 4.15
    chloroform 2.71
    n-propyl acetate 2.69
    acetic acid 1.72
    dichloromethane 1.94
    cyclohexanone 5.3
    propylene glycol 0.94
    isopropyl acetate 1.73
    DMAc 19.89
    2-ethoxyethanol 4.9
    isopentanol 0.85
    n-heptane 0.32
    ethyl formate 1.77
    1,2-dichloroethane 1.17
    n-hexanol 1.98
    2-methoxyethanol 7.33
    isobutyl acetate 2.24
    tetrachloromethane 0.29
    n-pentyl acetate 7.05
    transcutol 15.54
    n-heptanol 3.55
    ethylbenzene 1.06
    MIBK 2.31
    2-propoxyethanol 11.31
    tert-butanol 0.61
    MTBE 0.96
    2-butoxyethanol 10.15
    propionic acid 1.28
    o-xylene 1.06
    formic acid 2.23
    diethyl ether 1.08
    m-xylene 1.09
    p-xylene 1.13
    chlorobenzene 1.16
    dimethyl carbonate 3.9
    n-octane 0.31
    formamide 3.97
    cyclopentanone 10.96
    2-pentanone 2.51
    anisole 3.41
    cyclopentyl methyl ether 5.43
    gamma-butyrolactone 10.31
    1-methoxy-2-propanol 6.38
    pyridine 5.76
    3-pentanone 1.99
    furfural 10.02
    n-dodecane 0.33
    diethylene glycol 6.94
    diisopropyl ether 0.51
    tert-amyl alcohol 0.86
    acetylacetone 3.84
    n-hexadecane 0.39
    acetophenone 4.97
    methyl propionate 2.71
    isopentyl acetate 3.67
    trichloroethylene 3.75
    n-nonanol 4.7
    cyclohexanol 1.25
    benzyl alcohol 3.26
    2-ethylhexanol 2.26
    isooctanol 3.06
    dipropyl ether 3.43
    1,2-dichlorobenzene 1.36
    ethyl lactate 3.21
    propylene carbonate 4.82
    n-methylformamide 6.01
    2-pentanol 0.73
    n-pentane 0.08
    1-propoxy-2-propanol 9.82
    1-methoxy-2-propyl acetate 8.11
    2-(2-methoxypropoxy) propanol 10.78
    mesitylene 0.76
    ε-caprolactone 6.01
    p-cymene 1.96
    epichlorohydrin 8.27
    1,1,1-trichloroethane 0.67
    2-aminoethanol 1.85
    morpholine-4-carbaldehyde 24.25
    sulfolane 12.27
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 4.48
    n-hexyl acetate 7.55
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 12.89
    sec-butyl acetate 2.0
    tert-butyl acetate 2.8
    decalin 0.16
    glycerin 2.7
    diglyme 17.73
    acrylic acid 1.86
    isopropyl myristate 4.13
    n-butyric acid 1.69
    acetyl acetate 1.23
    di(2-ethylhexyl) phthalate 4.5
    ethyl propionate 2.61
    nitromethane 3.77
    1,2-diethoxyethane 6.36
    benzonitrile 3.63
    trioctyl phosphate 3.67
    1-bromopropane 0.75
    gamma-valerolactone 18.63
    n-decanol 3.39
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.7
    propionitrile 1.61
    vinylene carbonate 4.66
    1,1,2-trichlorotrifluoroethane 8.89
    DMS 4.99
    cumene 0.87
    2-octanol 3.17
    2-hexanone 3.25
    octyl acetate 5.02
    limonene 2.13
    1,2-dimethoxyethane 9.7
    ethyl orthosilicate 2.65
    tributyl phosphate 3.52
    diacetone alcohol 4.22
    N,N-dimethylaniline 4.36
    acrylonitrile 2.85
    aniline 2.28
    1,3-propanediol 1.93
    bromobenzene 1.05
    dibromomethane 1.12
    1,1,2,2-tetrachloroethane 3.05
    2-methyl-cyclohexyl acetate 4.67
    tetrabutyl urea 7.87
    diisobutyl methanol 1.56
    2-phenylethanol 4.99
    styrene 1.07
    dioctyl adipate 5.44
    dimethyl sulfate 5.9
    ethyl butyrate 3.63
    methyl lactate 4.31
    butyl lactate 8.19
    diethyl carbonate 2.11
    propanediol butyl ether 9.49
    triethyl orthoformate 4.44
    p-tert-butyltoluene 1.96
    methyl 4-tert-butylbenzoate 9.29
    morpholine 7.36
    tert-butylamine 0.39
    n-dodecanol 2.45
    dimethoxymethane 12.84
    ethylene carbonate 3.22
    cyrene 12.1
    2-ethoxyethyl acetate 8.46
    2-ethylhexyl acetate 3.48
    1,2,4-trichlorobenzene 2.15
    4-methylpyridine 4.97
    dibutyl ether 3.96
    2,6-dimethyl-4-heptanol 1.56
    DEF 6.94
    dimethyl isosorbide 22.1
    tetrachloroethylene 1.97
    eugenol 11.9
    triacetin 7.35
    span 80 9.72
    1,4-butanediol 1.22
    1,1-dichloroethane 0.74
    2-methyl-1-pentanol 1.18
    methyl formate 4.41
    2-methyl-1-butanol 0.91
    n-decane 0.57
    butyronitrile 1.54
    3,7-dimethyl-1-octanol 2.9
    1-chlorooctane 1.94
    1-chlorotetradecane 0.96
    n-nonane 0.46
    undecane 0.42
    tert-butylcyclohexane 0.14
    cyclooctane 0.1
    cyclopentanol 2.21
    tetrahydropyran 2.86
    tert-amyl methyl ether 1.59
    2,5,8-trioxanonane 14.71
    1-hexene 0.41
    2-isopropoxyethanol 3.6
    2,2,2-trifluoroethanol 1.32
    methyl butyrate 3.35

    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