HC Blue no.16

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  • Identifiers

    CAS number
    502453-61-4

    Molecular formula
    C23H30BrN3O2

    SMILES
    CCC[N+](C)(C)CCCNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O.[Br-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 34.28%
    Cooling 29.92%
    Animal 28.76%
    Savory 28.37%
    Citrus 23.96%
    Mint 23.1%
    Meaty 22.85%
    Grape 21.48%
    Cheesy 21.41%
    Fresh 20.98%

     

    Flavor
    Bitter 66.85%
    Bland 24.97%
    Odorless 22.02%
    Cedarleaf 20.26%
    Nitrile 18.93%
    Green pepper 18.57%
    Lovage 18.48%
    Parsley 18.43%
    Carrot 18.43%
    Heather 18.21%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.26 (neutral)

    Molecular weight
    460.4 g/mol

    Flash point

    • 176.49 ˚C est.

  • Synonyms

    • HC Blue no.16
    • Bluequat bromide
    • 502453-61-4
    • HC Blue 16
    • 6A8OGM5UU7
    • 1-Propanaminium, 3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-N,N-dimethyl-N-propyl-, bromide (1:1)
    • DTXSID50198249
    • 1-Propanaminium, 3-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-N,N-dimethyl-N-propyl-, bromide
    • 1-Propanaminium, 3-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-N,N-dimethyl-N-propyl-, bromide (1:1)
    • 1-Propanaminium, 3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-N,N-dimethyl-N-propyl-, bromide
    • RefChem:783430
    • DTXCID30120740
    • HC BLUE NO.16 [INCI]
    • 638-750-1
    • UNII-6A8OGM5UU7
    • HC Blue No. 16
    • N,N-Dimethyl-3-((4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)-N-propylpropan-1-aminium bromide
    • N,N-Dimethyl-3-{[4-(methylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N-propylpropan-1-aminium bromide
    • HC Azul 16
    • HC Bleu 16
    • HC Blu 16
    • SCHEMBL1293627
    • SCHEMBL30026850
    • SCHEMBL30807886
    • NS00078627
    • A015035
    • Q27264405
    • 502453-61-4

  • Applications

    HC Blue no.16 is primarily used as a colorant in coatings, paints, and industrial printing inks, providing a deep blue shade for inks and finishes; it also serves as a colorant for polymers and plastics, used to tint resin systems or plastic compounds; in the textile sector it is used for dyeing and printing on fabrics during processing and finishing; in the paper and packaging industry it is used to color papers and containers; it can function as a dye intermediate in the production of dyes and pigments; it may be evaluated for analytical or marking applications in laboratory methods, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.19
    methanol 27.89
    isopropanol 11.93
    water 0.64
    ethyl acetate 31.66
    n-propanol 21.78
    acetone 34.4
    n-butanol 20.35
    acetonitrile 14.29
    DMF 105.01
    toluene 11.31
    isobutanol 17.39
    1,4-dioxane 25.3
    methyl acetate 35.14
    THF 45.31
    2-butanone 37.87
    n-pentanol 17.86
    sec-butanol 12.53
    n-hexane 0.5
    ethylene glycol 14.88
    NMP 139.43
    cyclohexane 0.9
    DMSO 50.59
    n-butyl acetate 19.32
    n-octanol 3.84
    chloroform 173.0
    n-propyl acetate 22.33
    acetic acid 112.14
    dichloromethane 132.63
    cyclohexanone 63.28
    propylene glycol 14.05
    isopropyl acetate 19.56
    DMAc 181.98
    2-ethoxyethanol 41.91
    isopentanol 18.41
    n-heptane 0.34
    ethyl formate 32.89
    1,2-dichloroethane 70.9
    n-hexanol 13.1
    2-methoxyethanol 64.47
    isobutyl acetate 16.65
    tetrachloromethane 19.95
    n-pentyl acetate 15.34
    transcutol 42.91
    n-heptanol 8.46
    ethylbenzene 5.52
    MIBK 17.75
    2-propoxyethanol 45.89
    tert-butanol 11.68
    MTBE 7.15
    2-butoxyethanol 31.55
    propionic acid 44.22
    o-xylene 7.56
    formic acid 64.27
    diethyl ether 9.22
    m-xylene 8.18
    p-xylene 8.59
    chlorobenzene 26.73
    dimethyl carbonate 38.35
    n-octane 0.24
    formamide 69.41
    cyclopentanone 80.5
    2-pentanone 28.74
    anisole 11.65
    cyclopentyl methyl ether 19.8
    gamma-butyrolactone 97.09
    1-methoxy-2-propanol 40.01
    pyridine 46.68
    3-pentanone 27.22
    furfural 94.61
    n-dodecane 0.2
    diethylene glycol 44.34
    diisopropyl ether 2.69
    tert-amyl alcohol 12.12
    acetylacetone 41.95
    n-hexadecane 0.24
    acetophenone 25.02
    methyl propionate 40.56
    isopentyl acetate 18.83
    trichloroethylene 188.06
    n-nonanol 4.49
    cyclohexanol 18.82
    benzyl alcohol 27.96
    2-ethylhexanol 7.55
    isooctanol 7.43
    dipropyl ether 5.01
    1,2-dichlorobenzene 28.82
    ethyl lactate 23.85
    propylene carbonate 62.12
    n-methylformamide 60.77
    2-pentanol 10.16
    n-pentane 0.51
    1-propoxy-2-propanol 23.93
    1-methoxy-2-propyl acetate 32.02
    2-(2-methoxypropoxy) propanol 21.33
    mesitylene 4.12
    ε-caprolactone 58.56
    p-cymene 4.5
    epichlorohydrin 108.48
    1,1,1-trichloroethane 60.73
    2-aminoethanol 25.63
    morpholine-4-carbaldehyde 99.08
    sulfolane 114.76
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 26.34
    n-hexyl acetate 12.99
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 25.51
    sec-butyl acetate 15.89
    tert-butyl acetate 17.16
    decalin 0.76
    glycerin 33.86
    diglyme 49.44
    acrylic acid 58.95
    isopropyl myristate 4.79
    n-butyric acid 56.66
    acetyl acetate 32.72
    di(2-ethylhexyl) phthalate 12.15
    ethyl propionate 20.46
    nitromethane 106.17
    1,2-diethoxyethane 12.32
    benzonitrile 24.37
    trioctyl phosphate 7.83
    1-bromopropane 19.5
    gamma-valerolactone 105.99
    n-decanol 3.29
    triethyl phosphate 13.48
    4-methyl-2-pentanol 7.2
    propionitrile 18.09
    vinylene carbonate 68.87
    1,1,2-trichlorotrifluoroethane 155.22
    DMS 25.02
    cumene 4.58
    2-octanol 4.06
    2-hexanone 21.05
    octyl acetate 7.38
    limonene 5.14
    1,2-dimethoxyethane 37.29
    ethyl orthosilicate 11.91
    tributyl phosphate 9.22
    diacetone alcohol 30.83
    N,N-dimethylaniline 10.56
    acrylonitrile 28.66
    aniline 26.09
    1,3-propanediol 36.46
    bromobenzene 23.68
    dibromomethane 63.75
    1,1,2,2-tetrachloroethane 138.54
    2-methyl-cyclohexyl acetate 17.21
    tetrabutyl urea 11.95
    diisobutyl methanol 3.9
    2-phenylethanol 24.46
    styrene 6.78
    dioctyl adipate 10.38
    dimethyl sulfate 70.82
    ethyl butyrate 15.15
    methyl lactate 41.56
    butyl lactate 20.9
    diethyl carbonate 13.55
    propanediol butyl ether 18.66
    triethyl orthoformate 12.88
    p-tert-butyltoluene 3.86
    methyl 4-tert-butylbenzoate 22.88
    morpholine 41.81
    tert-butylamine 5.18
    n-dodecanol 2.45
    dimethoxymethane 46.95
    ethylene carbonate 52.97
    cyrene 42.51
    2-ethoxyethyl acetate 28.79
    2-ethylhexyl acetate 15.37
    1,2,4-trichlorobenzene 43.24
    4-methylpyridine 40.71
    dibutyl ether 3.08
    2,6-dimethyl-4-heptanol 3.9
    DEF 48.15
    dimethyl isosorbide 38.95
    tetrachloroethylene 95.9
    eugenol 28.88
    triacetin 22.92
    span 80 17.53
    1,4-butanediol 19.41
    1,1-dichloroethane 57.19
    2-methyl-1-pentanol 17.12
    methyl formate 52.65
    2-methyl-1-butanol 18.89
    n-decane 0.32
    butyronitrile 16.56
    3,7-dimethyl-1-octanol 4.7
    1-chlorooctane 2.23
    1-chlorotetradecane 1.0
    n-nonane 0.26
    undecane 0.25
    tert-butylcyclohexane 0.61
    cyclooctane 0.33
    cyclopentanol 24.94
    tetrahydropyran 19.96
    tert-amyl methyl ether 8.03
    2,5,8-trioxanonane 31.94
    1-hexene 2.91
    2-isopropoxyethanol 29.75
    2,2,2-trifluoroethanol 73.94
    methyl butyrate 28.51

    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