Phloxine

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  • Identifiers

    CAS number
    6441-77-6

    Molecular formula
    C20H4Br4Cl2K2O5

    SMILES
    C1=CC(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br)Cl.[K+].[K+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.57%
    Phenolic 33.63%
    Burnt 26.4%
    Smoky 20.0%
    Dry 19.78%
    Animal 18.54%
    Musk 17.36%
    Spicy 16.67%
    Savory 16.51%
    Powdery 16.26%

     

    Flavor
    Bitter 92.37%
    Odorless 31.28%
    Bland 21.51%
    Sweet-like 20.07%
    Very strong 19.11%
    Indole 18.84%
    Nitrile 18.8%
    Cedarleaf 18.63%
    Rotten 18.22%
    Scallion 17.79%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.75 (weak acid)

    Molecular weight
    793.0 g/mol

    Flash point

    • 240.61 ˚C est.

  • Synonyms

    • Acid red 98
    • 6441-77-6
    • C.I. ACID RED 98
    • CI acid red 98
    • C.I. 45405
    • QDW0T759T6
    • CI 45405
    • DTXSID80912314
    • Dipotassium 3,6-dichloro-2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate
    • Fluorescein, 4,7-dichloro-2',4',5',7'-tetrabromo-, dipotassium salt
    • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',3',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, dipotassium salt
    • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, potassium salt (1:2)
    • Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, potassium salt (1:2)
    • RefChem:173199
    • DTXCID801341336
    • 2',4',5',7'-Tetrabromo-4,7-tetrabromo-4,7-dichloro-3',6'-dihydrox-yspiro(isobenzofuran-1(3H)9'-(9H)xanthen)-3-one, dipotassium salt
    • 229-225-4
    • Phloxine
    • Phloxin
    • Phloxine K
    • Toyo Acid Phloxine
    • dipotassium;2',4',5',7'-tetrabromo-4,7-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
    • CCRIS 9133
    • JBBPTUVOZCXCSU-UHFFFAOYSA-L
    • EINECS 229-225-4
    • UNII-QDW0T759T6
    • SCHEMBL340126
    • C.I. FOOD RED 92
    • SCHEMBL29377683
    • 2,4,5,7-Tetrabromo-12,15-dichlorofluorescein, dipotassium salt
    • 4,6-Dichloro-2',4',5',7'-tetrabromofluorescein dipotassium salt
    • Fluorescein, 2',4',5',7'-tetrabromo-4,7-dichloro-, dipotassium salt
    • 2',4',5',7'-Tetrabromo-4,7-tetrabromo-4,7-dichloro-3',6'-dihydrox- yspiro(isobenzofuran-1(3H)9'-(9H)xanthen)-3-one, dipotassium salt
    • NS00013516
    • 2',4',5',7'-TETRABROMO-4,7-TETRABROMO-4,7-DICHLORO-3',6'- DIHYDROX- YSPIRO(ISOBENZOFURAN-1(3H)9'-(9H)XANTHEN)-3-ONE, DIPOTASSIUM SALT
    • Dipotassium 2',4',5',7'-tetrabromo-4,7-dichloro-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-3',6'-bis(olate)
    • Potassium 2',4',5',7'-tetrabromo-4,7-dichloro-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate)
    • 6441-77-6

  • Applications

    Phloxine (CAS 6441-77-6) is a water-soluble red dye in the xanthene dye family. In practice, it is used as a colorant across several industries, including inks, coatings, plastics, and textiles. It is also used as a cosmetic/personal care colorant under formulation controls and regulatory limits. Additionally, phloxine functions as a staining/marking dye in analytical and laboratory contexts, and as a histology/microbiology stain for sample labeling. It may be used as a dye for paper and packaging applications in printing and packaging workflows, subject to local regulations and formulation limits. Applications should be evaluated within regulatory constraints and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.32
    methanol 1.14
    isopropanol 0.78
    water 0.02
    ethyl acetate 6.78
    n-propanol 1.54
    acetone 4.36
    n-butanol 1.38
    acetonitrile 2.9
    DMF 19.65
    toluene 7.74
    isobutanol 1.32
    1,4-dioxane 14.18
    methyl acetate 6.06
    THF 35.75
    2-butanone 6.85
    n-pentanol 2.3
    sec-butanol 1.26
    n-hexane 0.4
    ethylene glycol 1.16
    NMP 43.37
    cyclohexane 0.62
    DMSO 5.6
    n-butyl acetate 15.16
    n-octanol 6.38
    chloroform 9.3
    n-propyl acetate 10.55
    acetic acid 2.76
    dichloromethane 8.61
    cyclohexanone 19.18
    propylene glycol 1.0
    isopropyl acetate 7.03
    DMAc 26.13
    2-ethoxyethanol 7.72
    isopentanol 1.56
    n-heptane 1.06
    ethyl formate 5.03
    1,2-dichloroethane 4.85
    n-hexanol 3.79
    2-methoxyethanol 8.04
    isobutyl acetate 9.12
    tetrachloromethane 1.24
    n-pentyl acetate 20.02
    transcutol 28.14
    n-heptanol 5.02
    ethylbenzene 5.57
    MIBK 6.85
    2-propoxyethanol 17.04
    tert-butanol 0.91
    MTBE 2.5
    2-butoxyethanol 13.82
    propionic acid 2.97
    o-xylene 5.81
    formic acid 2.24
    diethyl ether 3.17
    m-xylene 6.3
    p-xylene 6.45
    chlorobenzene 6.83
    dimethyl carbonate 9.82
    n-octane 0.98
    formamide 4.12
    cyclopentanone 26.3
    2-pentanone 7.11
    anisole 12.61
    cyclopentyl methyl ether 18.07
    gamma-butyrolactone 27.3
    1-methoxy-2-propanol 6.99
    pyridine 19.48
    3-pentanone 7.3
    furfural 29.23
    n-dodecane 1.19
    diethylene glycol 9.75
    diisopropyl ether 2.08
    tert-amyl alcohol 1.5
    acetylacetone 12.97
    n-hexadecane 1.45
    acetophenone 17.28
    methyl propionate 9.39
    isopentyl acetate 14.24
    trichloroethylene 14.56
    n-nonanol 7.34
    cyclohexanol 3.68
    benzyl alcohol 8.77
    2-ethylhexanol 5.84
    isooctanol 4.91
    dipropyl ether 9.03
    1,2-dichlorobenzene 7.76
    ethyl lactate 7.83
    propylene carbonate 15.55
    n-methylformamide 6.94
    2-pentanol 1.29
    n-pentane 0.28
    1-propoxy-2-propanol 15.05
    1-methoxy-2-propyl acetate 21.77
    2-(2-methoxypropoxy) propanol 20.25
    mesitylene 4.16
    ε-caprolactone 23.26
    p-cymene 7.54
    epichlorohydrin 23.85
    1,1,1-trichloroethane 3.87
    2-aminoethanol 1.72
    morpholine-4-carbaldehyde 45.7
    sulfolane 27.57
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 15.71
    n-hexyl acetate 19.9
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 21.92
    sec-butyl acetate 8.86
    tert-butyl acetate 9.22
    decalin 0.89
    glycerin 2.59
    diglyme 30.4
    acrylic acid 3.95
    isopropyl myristate 12.78
    n-butyric acid 3.87
    acetyl acetate 5.69
    di(2-ethylhexyl) phthalate 12.64
    ethyl propionate 10.82
    nitromethane 7.44
    1,2-diethoxyethane 18.24
    benzonitrile 13.28
    trioctyl phosphate 9.12
    1-bromopropane 3.22
    gamma-valerolactone 45.06
    n-decanol 6.12
    triethyl phosphate 8.78
    4-methyl-2-pentanol 1.47
    propionitrile 3.91
    vinylene carbonate 15.97
    1,1,2-trichlorotrifluoroethane 19.57
    DMS 19.13
    cumene 4.32
    2-octanol 5.15
    2-hexanone 10.2
    octyl acetate 14.52
    limonene 8.2
    1,2-dimethoxyethane 17.9
    ethyl orthosilicate 8.89
    tributyl phosphate 10.48
    diacetone alcohol 8.59
    N,N-dimethylaniline 12.99
    acrylonitrile 6.27
    aniline 7.4
    1,3-propanediol 2.14
    bromobenzene 7.63
    dibromomethane 5.13
    1,1,2,2-tetrachloroethane 10.68
    2-methyl-cyclohexyl acetate 16.23
    tetrabutyl urea 20.36
    diisobutyl methanol 3.91
    2-phenylethanol 12.88
    styrene 6.09
    dioctyl adipate 16.6
    dimethyl sulfate 12.31
    ethyl butyrate 13.66
    methyl lactate 7.91
    butyl lactate 16.61
    diethyl carbonate 8.85
    propanediol butyl ether 11.97
    triethyl orthoformate 14.02
    p-tert-butyltoluene 6.73
    methyl 4-tert-butylbenzoate 19.5
    morpholine 16.77
    tert-butylamine 0.64
    n-dodecanol 5.13
    dimethoxymethane 17.0
    ethylene carbonate 12.12
    cyrene 24.34
    2-ethoxyethyl acetate 24.61
    2-ethylhexyl acetate 15.39
    1,2,4-trichlorobenzene 11.07
    4-methylpyridine 17.46
    dibutyl ether 11.46
    2,6-dimethyl-4-heptanol 3.91
    DEF 16.36
    dimethyl isosorbide 47.7
    tetrachloroethylene 7.3
    eugenol 22.46
    triacetin 19.96
    span 80 17.32
    1,4-butanediol 1.72
    1,1-dichloroethane 3.31
    2-methyl-1-pentanol 2.52
    methyl formate 6.69
    2-methyl-1-butanol 1.77
    n-decane 1.8
    butyronitrile 3.76
    3,7-dimethyl-1-octanol 6.52
    1-chlorooctane 5.53
    1-chlorotetradecane 3.37
    n-nonane 1.45
    undecane 1.44
    tert-butylcyclohexane 0.73
    cyclooctane 0.53
    cyclopentanol 4.77
    tetrahydropyran 9.9
    tert-amyl methyl ether 4.43
    2,5,8-trioxanonane 27.69
    1-hexene 1.56
    2-isopropoxyethanol 7.0
    2,2,2-trifluoroethanol 2.44
    methyl butyrate 12.25

    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