CID 76045758

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1330-38-7

    Molecular formula
    C32H14CuN8Na2O6S2

    SMILES
    C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC(=C9)S(=O)(=O)[O-].[Na+].[Na+].[Cu+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 73.35%
    Cooked 22.55%
    Bitter 20.17%
    Burnt 19.44%
    Savory 15.82%
    Fruity 15.54%
    Grape 14.97%
    Roasted 14.81%
    Nutty 14.19%
    Pungent 13.02%

     

    Flavor
    Bitter 96.83%
    Odorless 27.85%
    Nitrile 17.26%
    Bland 17.23%
    Very strong 16.68%
    Indole 16.33%
    Sweet-like 15.93%
    Cedarleaf 15.83%
    Bread crust 15.74%
    Moth ball 15.67%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    0.85 (strong acid)

    Molecular weight
    780.2 g/mol

    Flash point

    • 422.96 ˚C est.

  • Synonyms

    • Direct blue 86
    • 1330-38-7
    • copper;disodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,24-disulfonate
    • MSK5830
    • Direct Blue 86 (technical product)
    • MFCD00070592
    • SY234478
    • NS00019407
    • 1330-38-7

  • Applications

    CID 76045758 (CAS 1330-38-7) is commonly used as an industrial intermediate and solvent. In practice, it is employed as a processing aid in polymers/plastics, as a solvent or formulation component in coatings and inks, as a cleaning solvent in household or industrial cleaners, and in electronics formulation environments as a processing aid. Depending on local regulations, it may be used under specific limits or as an additive in these domains.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.68
    methanol 2.96
    isopropanol 1.17
    water 0.06
    ethyl acetate 2.37
    n-propanol 1.7
    acetone 3.73
    n-butanol 1.2
    acetonitrile 1.28
    DMF 43.92
    toluene 0.57
    isobutanol 0.88
    1,4-dioxane 4.48
    methyl acetate 4.25
    THF 9.31
    2-butanone 6.55
    n-pentanol 0.86
    sec-butanol 1.39
    n-hexane 0.02
    ethylene glycol 2.98
    NMP 37.44
    cyclohexane 0.04
    DMSO 9.48
    n-butyl acetate 1.75
    n-octanol 0.86
    chloroform 2.29
    n-propyl acetate 1.69
    acetic acid 6.16
    dichloromethane 1.66
    cyclohexanone 8.17
    propylene glycol 5.24
    isopropyl acetate 1.53
    DMAc 37.54
    2-ethoxyethanol 5.16
    isopentanol 0.73
    n-heptane 0.04
    ethyl formate 3.47
    1,2-dichloroethane 1.03
    n-hexanol 0.61
    2-methoxyethanol 13.39
    isobutyl acetate 0.7
    tetrachloromethane 0.16
    n-pentyl acetate 2.76
    transcutol 9.66
    n-heptanol 0.8
    ethylbenzene 0.17
    MIBK 1.32
    2-propoxyethanol 6.09
    tert-butanol 0.66
    MTBE 0.54
    2-butoxyethanol 4.94
    propionic acid 6.22
    o-xylene 0.33
    formic acid 7.99
    diethyl ether 0.83
    m-xylene 0.27
    p-xylene 0.24
    chlorobenzene 0.6
    dimethyl carbonate 5.85
    n-octane 0.03
    formamide 9.75
    cyclopentanone 13.49
    2-pentanone 3.45
    anisole 0.78
    cyclopentyl methyl ether 1.8
    gamma-butyrolactone 16.67
    1-methoxy-2-propanol 10.76
    pyridine 5.62
    3-pentanone 2.96
    furfural 15.82
    n-dodecane 0.03
    diethylene glycol 6.53
    diisopropyl ether 0.15
    tert-amyl alcohol 0.94
    acetylacetone 5.31
    n-hexadecane 0.04
    acetophenone 1.86
    methyl propionate 4.9
    isopentyl acetate 1.15
    trichloroethylene 3.78
    n-nonanol 0.93
    cyclohexanol 1.21
    benzyl alcohol 1.88
    2-ethylhexanol 0.38
    isooctanol 0.53
    dipropyl ether 0.71
    1,2-dichlorobenzene 0.48
    ethyl lactate 3.26
    propylene carbonate 6.28
    n-methylformamide 13.6
    2-pentanol 0.7
    n-pentane 0.03
    1-propoxy-2-propanol 5.06
    1-methoxy-2-propyl acetate 3.83
    2-(2-methoxypropoxy) propanol 4.5
    mesitylene 0.13
    ε-caprolactone 8.33
    p-cymene 0.17
    epichlorohydrin 7.99
    1,1,1-trichloroethane 0.54
    2-aminoethanol 3.41
    morpholine-4-carbaldehyde 31.81
    sulfolane 20.23
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.94
    n-hexyl acetate 2.31
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.02
    sec-butyl acetate 0.91
    tert-butyl acetate 1.08
    decalin 0.01
    glycerin 14.3
    diglyme 8.36
    acrylic acid 9.74
    isopropyl myristate 0.77
    n-butyric acid 4.67
    acetyl acetate 1.55
    di(2-ethylhexyl) phthalate 1.17
    ethyl propionate 1.56
    nitromethane 12.19
    1,2-diethoxyethane 2.37
    benzonitrile 1.8
    trioctyl phosphate 0.89
    1-bromopropane 0.44
    gamma-valerolactone 32.34
    n-decanol 0.65
    triethyl phosphate 0.8
    4-methyl-2-pentanol 0.3
    propionitrile 1.59
    vinylene carbonate 7.65
    1,1,2-trichlorotrifluoroethane 17.04
    DMS 2.93
    cumene 0.09
    2-octanol 0.68
    2-hexanone 2.05
    octyl acetate 1.34
    limonene 0.25
    1,2-dimethoxyethane 6.05
    ethyl orthosilicate 0.67
    tributyl phosphate 0.94
    diacetone alcohol 3.73
    N,N-dimethylaniline 0.58
    acrylonitrile 3.79
    aniline 1.65
    1,3-propanediol 4.82
    bromobenzene 0.4
    dibromomethane 0.71
    1,1,2,2-tetrachloroethane 3.31
    2-methyl-cyclohexyl acetate 0.94
    tetrabutyl urea 2.09
    diisobutyl methanol 0.23
    2-phenylethanol 1.42
    styrene 0.23
    dioctyl adipate 1.53
    dimethyl sulfate 9.78
    ethyl butyrate 1.39
    methyl lactate 11.41
    butyl lactate 4.6
    diethyl carbonate 0.92
    propanediol butyl ether 7.1
    triethyl orthoformate 1.34
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.52
    morpholine 7.03
    tert-butylamine 0.2
    n-dodecanol 0.45
    dimethoxymethane 11.09
    ethylene carbonate 4.72
    cyrene 7.28
    2-ethoxyethyl acetate 5.12
    2-ethylhexyl acetate 0.96
    1,2,4-trichlorobenzene 0.99
    4-methylpyridine 3.98
    dibutyl ether 0.74
    2,6-dimethyl-4-heptanol 0.23
    DEF 7.21
    dimethyl isosorbide 5.58
    tetrachloroethylene 1.58
    eugenol 3.72
    triacetin 3.91
    span 80 4.52
    1,4-butanediol 2.0
    1,1-dichloroethane 0.88
    2-methyl-1-pentanol 0.57
    methyl formate 11.03
    2-methyl-1-butanol 0.89
    n-decane 0.05
    butyronitrile 1.27
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.24
    1-chlorotetradecane 0.1
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 2.35
    tetrahydropyran 2.22
    tert-amyl methyl ether 0.69
    2,5,8-trioxanonane 6.12
    1-hexene 0.1
    2-isopropoxyethanol 2.74
    2,2,2-trifluoroethanol 4.38
    methyl butyrate 2.38

    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