3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    73398-89-7

    Molecular formula
    C58H66Cl4N4O6Zn

    SMILES
    CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.Cl[Zn-2](Cl)(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 39.38%
    Grape 38.99%
    Fruity 37.3%
    Animal 34.79%
    Neroli 32.8%
    Citrus 27.86%
    Sweet 27.57%
    Orange 24.9%
    Fresh 24.03%
    Dry 22.87%

     

    Flavor
    Bitter 67.83%
    Odorless 20.83%
    Cedarleaf 20.39%
    Bland 19.93%
    Heather 19.75%
    Parsley 19.7%
    Herbal 19.5%
    Green pepper 19.45%
    Lovage 19.42%
    Broom 19.36%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.52 (weak base)

    Molecular weight
    1122.4 g/mol

    Flash point

    • 287.38 ˚C est.

  • Synonyms

    • 3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate
    • 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate
    • Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, (T-4)-tetrachlorozincate(2-) (2:1)
    • Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, (T-4)-tetrachlorozincate(2-) (2:1)
    • RefChem:487449
    • DTXCID601839252
    • Xanthylium, 3,6-bis(diethylamino)-9-2-(methoxycarbonyl)phenyl-, (T-4)-tetrachlorozincate(2-) (2:1)
    • DTXSID50879783
    • Basic Violet 11:1
    • 73398-89-7
    • [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;tetrachlorozinc(2-)
    • 4PG1Z300FR
    • UNII-4PG1Z300FR
    • EINECS 277-459-0
    • Ammonium, ((6-(diethylamino)-9-(O-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, tetrachlorozincate(2-) (2:1)
    • NS00019626
    • Q27260335
    • Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, (beta-4)-tetrachlorozincate(2-) (2:1)
    • 73398-89-7

  • Applications

    3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate (CAS 73398-89-7) is a cationic xanthylium dye salt commonly used as a colorant in specialty inks and coatings, where bright, high-contrast coloration and good compatibility with polar media are valued. It is typically employed as a dye for paper and plastic substrates and may be used for dyeing selected synthetic textiles, subject to formulation compatibility and regulatory constraints. The salt form enhances solubility in aqueous and solvent-based systems and can be formulated into inkjet inks or other coating formulations for decorative or signage applications. In analytical or research settings, such dyes can serve as fluorescent markers or optical colorants for sensing and imaging experiments, depending on regulatory clearance and end-use constraints. These use-cases reflect common industry practices for cationic dye salts with ZnCl4 counterions, and actual implementation depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.35
    methanol 8.08
    isopropanol 3.77
    water 0.14
    ethyl acetate 19.5
    n-propanol 7.24
    acetone 18.72
    n-butanol 6.56
    acetonitrile 9.05
    DMF 39.51
    toluene 11.66
    isobutanol 5.9
    1,4-dioxane 18.68
    methyl acetate 26.8
    THF 23.94
    2-butanone 25.84
    n-pentanol 6.43
    sec-butanol 5.43
    n-hexane 1.06
    ethylene glycol 3.32
    NMP 77.39
    cyclohexane 1.2
    DMSO 22.51
    n-butyl acetate 13.54
    n-octanol 1.13
    chloroform 230.07
    n-propyl acetate 13.76
    acetic acid 34.65
    dichloromethane 247.39
    cyclohexanone 39.63
    propylene glycol 2.49
    isopropyl acetate 12.25
    DMAc 107.97
    2-ethoxyethanol 14.64
    isopentanol 6.6
    n-heptane 0.45
    ethyl formate 14.8
    1,2-dichloroethane 105.54
    n-hexanol 4.71
    2-methoxyethanol 18.42
    isobutyl acetate 8.65
    tetrachloromethane 25.5
    n-pentyl acetate 9.34
    transcutol 25.17
    n-heptanol 2.56
    ethylbenzene 5.42
    MIBK 9.84
    2-propoxyethanol 19.59
    tert-butanol 4.3
    MTBE 6.65
    2-butoxyethanol 10.85
    propionic acid 20.63
    o-xylene 7.79
    formic acid 18.04
    diethyl ether 10.34
    m-xylene 6.44
    p-xylene 7.46
    chlorobenzene 30.5
    dimethyl carbonate 22.9
    n-octane 0.21
    formamide 25.62
    cyclopentanone 37.04
    2-pentanone 16.5
    anisole 9.1
    cyclopentyl methyl ether 12.69
    gamma-butyrolactone 51.6
    1-methoxy-2-propanol 11.49
    pyridine 32.84
    3-pentanone 22.69
    furfural 52.57
    n-dodecane 0.13
    diethylene glycol 15.44
    diisopropyl ether 2.85
    tert-amyl alcohol 6.08
    acetylacetone 23.55
    n-hexadecane 0.16
    acetophenone 16.68
    methyl propionate 25.2
    isopentyl acetate 13.11
    trichloroethylene 243.33
    n-nonanol 1.45
    cyclohexanol 8.54
    benzyl alcohol 12.8
    2-ethylhexanol 3.75
    isooctanol 2.58
    dipropyl ether 5.26
    1,2-dichlorobenzene 34.85
    ethyl lactate 9.93
    propylene carbonate 29.88
    n-methylformamide 22.91
    2-pentanol 4.41
    n-pentane 0.92
    1-propoxy-2-propanol 11.13
    1-methoxy-2-propyl acetate 20.01
    2-(2-methoxypropoxy) propanol 11.58
    mesitylene 3.28
    ε-caprolactone 36.3
    p-cymene 3.25
    epichlorohydrin 83.53
    1,1,1-trichloroethane 67.88
    2-aminoethanol 5.56
    morpholine-4-carbaldehyde 53.62
    sulfolane 61.97
    2,2,4-trimethylpentane 0.64
    2-methyltetrahydrofuran 16.93
    n-hexyl acetate 6.07
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 11.12
    sec-butyl acetate 9.75
    tert-butyl acetate 10.28
    decalin 0.9
    glycerin 6.99
    diglyme 27.13
    acrylic acid 26.77
    isopropyl myristate 2.66
    n-butyric acid 21.43
    acetyl acetate 21.11
    di(2-ethylhexyl) phthalate 6.61
    ethyl propionate 14.54
    nitromethane 59.04
    1,2-diethoxyethane 10.92
    benzonitrile 12.18
    trioctyl phosphate 3.39
    1-bromopropane 33.73
    gamma-valerolactone 59.58
    n-decanol 1.12
    triethyl phosphate 10.45
    4-methyl-2-pentanol 3.18
    propionitrile 11.82
    vinylene carbonate 39.12
    1,1,2-trichlorotrifluoroethane 87.82
    DMS 21.7
    cumene 3.9
    2-octanol 1.43
    2-hexanone 13.35
    octyl acetate 3.67
    limonene 4.02
    1,2-dimethoxyethane 22.2
    ethyl orthosilicate 9.35
    tributyl phosphate 5.02
    diacetone alcohol 12.87
    N,N-dimethylaniline 8.22
    acrylonitrile 18.2
    aniline 17.87
    1,3-propanediol 7.91
    bromobenzene 32.23
    dibromomethane 122.33
    1,1,2,2-tetrachloroethane 158.14
    2-methyl-cyclohexyl acetate 11.85
    tetrabutyl urea 6.84
    diisobutyl methanol 2.29
    2-phenylethanol 11.84
    styrene 6.67
    dioctyl adipate 6.57
    dimethyl sulfate 44.18
    ethyl butyrate 11.29
    methyl lactate 14.99
    butyl lactate 9.55
    diethyl carbonate 10.7
    propanediol butyl ether 4.94
    triethyl orthoformate 10.09
    p-tert-butyltoluene 2.56
    methyl 4-tert-butylbenzoate 12.71
    morpholine 22.23
    tert-butylamine 2.9
    n-dodecanol 0.89
    dimethoxymethane 25.47
    ethylene carbonate 31.36
    cyrene 17.6
    2-ethoxyethyl acetate 20.41
    2-ethylhexyl acetate 11.85
    1,2,4-trichlorobenzene 47.19
    4-methylpyridine 27.4
    dibutyl ether 2.26
    2,6-dimethyl-4-heptanol 2.29
    DEF 31.47
    dimethyl isosorbide 23.25
    tetrachloroethylene 112.46
    eugenol 14.32
    triacetin 14.31
    span 80 7.91
    1,4-butanediol 4.5
    1,1-dichloroethane 63.39
    2-methyl-1-pentanol 8.36
    methyl formate 21.36
    2-methyl-1-butanol 7.65
    n-decane 0.21
    butyronitrile 8.28
    3,7-dimethyl-1-octanol 1.79
    1-chlorooctane 1.25
    1-chlorotetradecane 0.63
    n-nonane 0.18
    undecane 0.16
    tert-butylcyclohexane 0.65
    cyclooctane 0.38
    cyclopentanol 8.53
    tetrahydropyran 14.0
    tert-amyl methyl ether 7.75
    2,5,8-trioxanonane 18.52
    1-hexene 4.22
    2-isopropoxyethanol 11.35
    2,2,2-trifluoroethanol 30.0
    methyl butyrate 17.45

    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