(2E)-2-[(2E,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole;diiodide

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  • Identifiers

    CAS number
    3571-88-8

    Molecular formula
    C38H61I2N3S3

    SMILES
    CCCCCCCN\1C(=CS/C1=C/C=C(\C=C\C2=[N+](C(=CS2)C)CCCCCCC)/C3=[N+](C(=CS3)C)CCCCCCC)C.[I-].[I-]

    Safety labels

  • Odor profile

    Fragrance
    Meaty 51.18%
    Roasted 48.64%
    Nutty 32.01%
    Savory 31.14%
    Fatty 31.1%
    Cooked 28.7%
    Herbal 24.86%
    Citrus 21.54%
    Fruity 20.51%
    Fresh 20.43%

     

    Flavor
    Bitter 37.72%
    Herbal 26.07%
    Bland 22.12%
    Cedarleaf 19.96%
    Oriental 19.89%
    Carrot 19.41%
    Nitrile 19.05%
    Diterpene 19.03%
    Lovage 18.92%
    Delicate 18.88%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    10.66 (weak base)

    Molecular weight
    909.9 g/mol

    Flash point

    • 231.37 ˚C est.

  • Synonyms

    • 3571-88-8
    • (2E)-2-[(2E,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole;diiodide
    • Platonin (JAN)
    • SCHEMBL656579
    • D03268
    • 3571-88-8

  • Applications

    With roles as a colorant and functional dye for inks, coatings, and polymer matrices, the compound (2E)-2-[(2E,4E)-3,5-bis(3-heptyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-heptyl-4-methyl-1,3-thiazole;diiodide (CAS 3571-88-8) may also function as a sensitizer in dye-sensitized solar cells and other organic electronic devices, as a fluorescent probe or sensor in analytical applications, and as a specialty polymer additive to impart color and photophysical properties; it is also used or evaluated as an intermediate in the synthesis of cyanine-like dyes for research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.6
    methanol 5.77
    isopropanol 5.67
    water 0.05
    ethyl acetate 104.06
    n-propanol 14.55
    acetone 52.01
    n-butanol 16.49
    acetonitrile 13.11
    DMF 111.32
    toluene 122.83
    isobutanol 13.39
    1,4-dioxane 86.74
    methyl acetate 79.58
    THF 193.33
    2-butanone 116.09
    n-pentanol 18.13
    sec-butanol 15.42
    n-hexane 3.43
    ethylene glycol 1.22
    NMP 530.34
    cyclohexane 7.47
    DMSO 49.57
    n-butyl acetate 97.38
    n-octanol 10.5
    chloroform 983.97
    n-propyl acetate 96.69
    acetic acid 38.33
    dichloromethane 884.81
    cyclohexanone 303.53
    propylene glycol 3.41
    isopropyl acetate 72.92
    DMAc 357.83
    2-ethoxyethanol 42.24
    isopentanol 17.37
    n-heptane 3.46
    ethyl formate 53.52
    1,2-dichloroethane 282.82
    n-hexanol 12.71
    2-methoxyethanol 32.14
    isobutyl acetate 68.85
    tetrachloromethane 119.37
    n-pentyl acetate 116.85
    transcutol 103.64
    n-heptanol 13.9
    ethylbenzene 37.81
    MIBK 54.8
    2-propoxyethanol 46.44
    tert-butanol 6.6
    MTBE 29.81
    2-butoxyethanol 49.82
    propionic acid 42.13
    o-xylene 61.42
    formic acid 11.65
    diethyl ether 35.12
    m-xylene 56.15
    p-xylene 56.91
    chlorobenzene 275.82
    dimethyl carbonate 64.59
    n-octane 1.44
    formamide 17.52
    cyclopentanone 314.72
    2-pentanone 95.1
    anisole 85.33
    cyclopentyl methyl ether 132.03
    gamma-butyrolactone 359.96
    1-methoxy-2-propanol 31.11
    pyridine 228.21
    3-pentanone 111.54
    furfural 324.92
    n-dodecane 0.99
    diethylene glycol 14.87
    diisopropyl ether 11.62
    tert-amyl alcohol 17.05
    acetylacetone 135.72
    n-hexadecane 1.24
    acetophenone 138.69
    methyl propionate 106.56
    isopentyl acetate 82.99
    trichloroethylene 957.12
    n-nonanol 13.04
    cyclohexanol 39.51
    benzyl alcohol 60.79
    2-ethylhexanol 17.61
    isooctanol 14.9
    dipropyl ether 34.43
    1,2-dichlorobenzene 287.04
    ethyl lactate 39.72
    propylene carbonate 233.54
    n-methylformamide 43.19
    2-pentanol 13.06
    n-pentane 2.93
    1-propoxy-2-propanol 41.25
    1-methoxy-2-propyl acetate 106.78
    2-(2-methoxypropoxy) propanol 51.74
    mesitylene 24.67
    ε-caprolactone 333.74
    p-cymene 22.8
    epichlorohydrin 406.7
    1,1,1-trichloroethane 350.46
    2-aminoethanol 4.84
    morpholine-4-carbaldehyde 257.65
    sulfolane 388.91
    2,2,4-trimethylpentane 3.03
    2-methyltetrahydrofuran 174.56
    n-hexyl acetate 79.73
    isooctane 1.17
    2-(2-butoxyethoxy)ethanol 52.14
    sec-butyl acetate 72.32
    tert-butyl acetate 70.12
    decalin 4.91
    glycerin 6.88
    diglyme 141.58
    acrylic acid 43.07
    isopropyl myristate 25.07
    n-butyric acid 77.76
    acetyl acetate 93.01
    di(2-ethylhexyl) phthalate 42.78
    ethyl propionate 81.46
    nitromethane 93.44
    1,2-diethoxyethane 69.36
    benzonitrile 84.63
    trioctyl phosphate 21.67
    1-bromopropane 134.1
    gamma-valerolactone 472.96
    n-decanol 8.2
    triethyl phosphate 62.5
    4-methyl-2-pentanol 8.71
    propionitrile 23.7
    vinylene carbonate 243.44
    1,1,2-trichlorotrifluoroethane 324.86
    DMS 94.91
    cumene 23.14
    2-octanol 10.82
    2-hexanone 91.31
    octyl acetate 36.06
    limonene 32.25
    1,2-dimethoxyethane 83.5
    ethyl orthosilicate 58.85
    tributyl phosphate 30.37
    diacetone alcohol 49.96
    N,N-dimethylaniline 57.7
    acrylonitrile 34.12
    aniline 89.85
    1,3-propanediol 9.28
    bromobenzene 361.25
    dibromomethane 405.24
    1,1,2,2-tetrachloroethane 666.88
    2-methyl-cyclohexyl acetate 89.47
    tetrabutyl urea 47.84
    diisobutyl methanol 8.96
    2-phenylethanol 47.64
    styrene 60.01
    dioctyl adipate 57.15
    dimethyl sulfate 154.34
    ethyl butyrate 93.05
    methyl lactate 39.31
    butyl lactate 69.02
    diethyl carbonate 61.59
    propanediol butyl ether 25.6
    triethyl orthoformate 83.14
    p-tert-butyltoluene 18.53
    methyl 4-tert-butylbenzoate 103.98
    morpholine 111.21
    tert-butylamine 4.63
    n-dodecanol 5.57
    dimethoxymethane 70.81
    ethylene carbonate 173.19
    cyrene 116.67
    2-ethoxyethyl acetate 177.11
    2-ethylhexyl acetate 89.24
    1,2,4-trichlorobenzene 392.15
    4-methylpyridine 247.38
    dibutyl ether 26.55
    2,6-dimethyl-4-heptanol 8.96
    DEF 160.19
    dimethyl isosorbide 138.83
    tetrachloroethylene 406.37
    eugenol 85.79
    triacetin 140.64
    span 80 48.81
    1,4-butanediol 5.93
    1,1-dichloroethane 252.28
    2-methyl-1-pentanol 24.14
    methyl formate 40.18
    2-methyl-1-butanol 23.84
    n-decane 2.23
    butyronitrile 27.51
    3,7-dimethyl-1-octanol 11.65
    1-chlorooctane 16.23
    1-chlorotetradecane 4.75
    n-nonane 1.84
    undecane 1.39
    tert-butylcyclohexane 3.48
    cyclooctane 2.96
    cyclopentanol 39.52
    tetrahydropyran 120.58
    tert-amyl methyl ether 42.94
    2,5,8-trioxanonane 80.37
    1-hexene 17.06
    2-isopropoxyethanol 38.35
    2,2,2-trifluoroethanol 41.0
    methyl butyrate 114.73

    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