Molecular formula
C20H8Br4O10S2-2

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

Fragrance
Odorless	86.66%
Savory	17.52%
Bitter	17.42%
Cooked	15.28%
Burnt	14.81%
Milky	13.45%
Clean	12.38%
Cooling	12.05%
Phenolic	11.14%
Roasted	10.55%

 

Flavor
Bitter	93.61%
Odorless	34.54%
Bland	23.3%
Nitrile	19.47%
Sweet-like	18.5%
Cedarleaf	18.14%
Very strong	17.98%
Indole	17.77%
Taco	17.58%
Bread crust	17.54%

 

Odor impact est.
Low

XLogP3-AA
5.0

pKa est.
3.64 (weak acid)

Molecular weight
792.0 g/mol

Flash point

• 332.4 ˚C est.

• bromosulfophthalein(2-)
• 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
• 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
• bromosulfophthalein dianion
• CHEBI:63832
• BDBM50390979
• SBI-0654216.0001
• Q27132834

Bromosulfophthalein(2-) is a water-soluble dye primarily recognized as a diagnostic reagent in clinical chemistry, notably for hepatic function testing (the BSP test) where its excretion into bile reflects liver excretory capacity. It is also used as a colorimetric indicator in analytical chemistry and photometric assays due to its visible color change and spectral properties. In the laboratory, it serves as a soluble dye/reagent for certain qualitative or quantitative assays and can act as a tracer in chromatographic or spectrophotometric methods. In some contexts, it may be used as an indicator or marker in research and development settings, with use governed by local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2.61
methanol	3.05
isopropanol	1.2
water	0.02
ethyl acetate	3.52
n-propanol	2.35
acetone	3.44
n-butanol	1.35
acetonitrile	1.7
DMF	52.55
toluene	1.44
isobutanol	1.12
1,4-dioxane	7.24
methyl acetate	4.14
THF	22.34
2-butanone	5.8
n-pentanol	1.06
sec-butanol	1.69
n-hexane	0.08
ethylene glycol	2.77
NMP	61.25
cyclohexane	0.13
DMSO	10.84
n-butyl acetate	4.33
n-octanol	1.61
chloroform	3.76
n-propyl acetate	3.58
acetic acid	4.39
dichloromethane	3.31
cyclohexanone	7.96
propylene glycol	3.61
isopropyl acetate	2.65
DMAc	43.63
2-ethoxyethanol	7.73
isopentanol	0.82
n-heptane	0.17
ethyl formate	3.35
1,2-dichloroethane	1.97
n-hexanol	1.34
2-methoxyethanol	17.54
isobutyl acetate	1.6
tetrachloromethane	0.34
n-pentyl acetate	4.19
transcutol	13.93
n-heptanol	1.63
ethylbenzene	0.6
MIBK	2.14
2-propoxyethanol	13.53
tert-butanol	0.88
MTBE	1.3
2-butoxyethanol	8.35
propionic acid	3.87
o-xylene	0.91
formic acid	5.61
diethyl ether	1.87
m-xylene	0.88
p-xylene	0.62
chlorobenzene	0.96
dimethyl carbonate	7.31
n-octane	0.1
formamide	9.58
cyclopentanone	16.95
2-pentanone	4.25
anisole	2.78
cyclopentyl methyl ether	6.41
gamma-butyrolactone	20.25
1-methoxy-2-propanol	15.03
pyridine	8.94
3-pentanone	3.76
furfural	17.37
n-dodecane	0.09
diethylene glycol	10.12
diisopropyl ether	0.48
tert-amyl alcohol	1.4
acetylacetone	6.88
n-hexadecane	0.11
acetophenone	4.47
methyl propionate	6.96
isopentyl acetate	2.63
trichloroethylene	6.62
n-nonanol	1.78
cyclohexanol	1.64
benzyl alcohol	2.85
2-ethylhexanol	1.03
isooctanol	1.13
dipropyl ether	2.72
1,2-dichlorobenzene	1.02
ethyl lactate	5.08
propylene carbonate	8.21
n-methylformamide	15.2
2-pentanol	1.01
n-pentane	0.1
1-propoxy-2-propanol	10.92
1-methoxy-2-propyl acetate	10.38
2-(2-methoxypropoxy) propanol	8.86
mesitylene	0.47
ε-caprolactone	9.62
p-cymene	0.71
epichlorohydrin	14.13
1,1,1-trichloroethane	1.05
2-aminoethanol	4.22
morpholine-4-carbaldehyde	44.38
sulfolane	28.61
2,2,4-trimethylpentane	0.05
2-methyltetrahydrofuran	6.99
n-hexyl acetate	4.16
isooctane	0.03
2-(2-butoxyethoxy)ethanol	9.75
sec-butyl acetate	2.12
tert-butyl acetate	2.93
decalin	0.07
glycerin	9.68
diglyme	16.69
acrylic acid	5.36
isopropyl myristate	1.77
n-butyric acid	3.73
acetyl acetate	2.33
di(2-ethylhexyl) phthalate	2.27
ethyl propionate	3.71
nitromethane	10.95
1,2-diethoxyethane	4.23
benzonitrile	2.35
trioctyl phosphate	1.71
1-bromopropane	1.13
gamma-valerolactone	35.13
n-decanol	1.27
triethyl phosphate	2.09
4-methyl-2-pentanol	0.52
propionitrile	2.25
vinylene carbonate	7.18
1,1,2-trichlorotrifluoroethane	21.48
DMS	5.82
cumene	0.35
2-octanol	1.27
2-hexanone	3.18
octyl acetate	2.7
limonene	1.08
1,2-dimethoxyethane	12.48
ethyl orthosilicate	1.88
tributyl phosphate	1.71
diacetone alcohol	5.8
N,N-dimethylaniline	2.72
acrylonitrile	4.61
aniline	2.89
1,3-propanediol	3.88
bromobenzene	0.84
dibromomethane	1.66
1,1,2,2-tetrachloroethane	5.38
2-methyl-cyclohexyl acetate	3.33
tetrabutyl urea	4.26
diisobutyl methanol	0.6
2-phenylethanol	3.56
styrene	0.76
dioctyl adipate	3.07
dimethyl sulfate	13.53
ethyl butyrate	3.86
methyl lactate	11.35
butyl lactate	6.37
diethyl carbonate	2.34
propanediol butyl ether	7.73
triethyl orthoformate	3.68
p-tert-butyltoluene	0.76
methyl 4-tert-butylbenzoate	6.49
morpholine	13.64
tert-butylamine	0.46
n-dodecanol	0.89
dimethoxymethane	20.62
ethylene carbonate	4.78
cyrene	12.7
2-ethoxyethyl acetate	6.85
2-ethylhexyl acetate	2.5
1,2,4-trichlorobenzene	1.93
4-methylpyridine	6.08
dibutyl ether	1.62
2,6-dimethyl-4-heptanol	0.6
DEF	11.57
dimethyl isosorbide	17.38
tetrachloroethylene	2.95
eugenol	8.02
triacetin	6.69
span 80	7.73
1,4-butanediol	1.5
1,1-dichloroethane	1.39
2-methyl-1-pentanol	0.76
methyl formate	10.05
2-methyl-1-butanol	1.18
n-decane	0.17
butyronitrile	1.79
3,7-dimethyl-1-octanol	1.08
1-chlorooctane	0.65
1-chlorotetradecane	0.28
n-nonane	0.14
undecane	0.12
tert-butylcyclohexane	0.05
cyclooctane	0.08
cyclopentanol	3.47
tetrahydropyran	4.43
tert-amyl methyl ether	2.01
2,5,8-trioxanonane	12.73
1-hexene	0.36
2-isopropoxyethanol	4.38
2,2,2-trifluoroethanol	2.79
methyl butyrate	4.82

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