trisodium;5-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-3-sulfonatophenyl]diazenyl]-2-hydroxybenzoate

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  • Identifiers

    Molecular formula
    C20H11N4Na3O9S

    SMILES
    C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)O)C(=O)[O-].[Na+].[Na+].[Na+]

  • Odor profile

    Odorless 89.35%
    Bitter 27.92%
    Burnt 16.99%
    Phenolic 15.11%
    Roasted 14.77%
    Cooked 14.55%
    Savory 13.99%
    Aromatic 13.24%
    Almond 11.4%
    Sharp 11.28%

    Scent© AI

  • Properties

    Molecular weight
    552.4 g/mol

    Flash point est.
    130.65 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.96
    methanol 31.91
    isopropanol 1.89
    water 25.8
    ethyl acetate 1.15
    n-propanol 2.44
    acetone 3.55
    n-butanol 1.07
    acetonitrile 1.42
    DMF 108.86
    toluene 0.24
    isobutanol 0.62
    1,4-dioxane 2.24
    methyl acetate 1.47
    THF 4.38
    2-butanone 1.51
    n-pentanol 0.8
    sec-butanol 0.86
    n-hexane 0.05
    ethylene glycol 46.66
    NMP 18.46
    cyclohexane 0.04
    DMSO 112.37
    n-butyl acetate 0.56
    n-octanol 0.33
    chloroform 1.67
    n-propyl acetate 0.8
    acetic acid 17.38
    dichloromethane 2.53
    cyclohexanone 0.87
    propylene glycol 17.47
    isopropyl acetate 0.7
    DMAc 36.96
    2-ethoxyethanol 17.75
    isopentanol 0.45
    n-heptane 0.08
    ethyl formate 4.02
    1,2-dichloroethane 1.55
    n-hexanol 0.52
    2-methoxyethanol 73.64
    isobutyl acetate 0.22
    tetrachloromethane 0.27
    n-pentyl acetate 0.52
    transcutol 14.22
    n-heptanol 0.61
    ethylbenzene 0.16
    MIBK 0.55
    2-propoxyethanol 10.49
    tert-butanol 0.73
    MTBE 0.14
    2-butoxyethanol 5.1
    propionic acid 4.17
    o-xylene 0.21
    formic acid 128.72
    diethyl ether 0.79
    m-xylene 0.2
    p-xylene 0.16
    chlorobenzene 0.17
    dimethyl carbonate 5.95
    n-octane 0.04
    formamide 209.38
    cyclopentanone 2.86
    2-pentanone 1.17
    anisole 0.63
    cyclopentyl methyl ether 0.82
    gamma-butyrolactone 5.92
    1-methoxy-2-propanol 28.72
    pyridine 2.52
    3-pentanone 0.87
    furfural 12.44
    n-dodecane 0.02
    diethylene glycol 36.87
    diisopropyl ether 0.14
    tert-amyl alcohol 0.42
    acetylacetone 3.31
    n-hexadecane 0.02
    acetophenone 1.19
    methyl propionate 2.61
    isopentyl acetate 0.31
    trichloroethylene 2.59
    n-nonanol 0.37
    cyclohexanol 0.36
    benzyl alcohol 1.59
    2-ethylhexanol 0.22
    isooctanol 0.32
    dipropyl ether 0.73
    1,2-dichlorobenzene 0.24
    ethyl lactate 4.27
    propylene carbonate 2.34
    n-methylformamide 58.18
    2-pentanol 0.53
    n-pentane 0.06
    1-propoxy-2-propanol 4.85
    1-methoxy-2-propyl acetate 2.11
    2-(2-methoxypropoxy) propanol 4.0
    mesitylene 0.13
    ε-caprolactone 1.1
    p-cymene 0.13
    epichlorohydrin 5.69
    1,1,1-trichloroethane 0.28
    2-aminoethanol 29.39
    morpholine-4-carbaldehyde 26.75
    sulfolane 15.16
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.65
    n-hexyl acetate 0.42
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.05
    sec-butyl acetate 0.32
    tert-butyl acetate 0.5
    decalin 0.02
    glycerin 76.63
    diglyme 11.26
    acrylic acid 9.86
    isopropyl myristate 0.2
    n-butyric acid 2.61
    acetyl acetate 1.11
    di(2-ethylhexyl) phthalate 0.51
    ethyl propionate 0.91
    nitromethane 28.4
    1,2-diethoxyethane 1.31
    benzonitrile 0.53
    trioctyl phosphate 0.36
    1-bromopropane 0.52
    gamma-valerolactone 9.59
    n-decanol 0.28
    triethyl phosphate 0.68
    4-methyl-2-pentanol 0.21
    propionitrile 0.93
    vinylene carbonate 3.22
    1,1,2-trichlorotrifluoroethane 22.8
    DMS 1.15
    cumene 0.12
    2-octanol 0.28
    2-hexanone 0.58
    octyl acetate 0.34
    limonene 0.12
    1,2-dimethoxyethane 13.17
    ethyl orthosilicate 0.54
    tributyl phosphate 0.4
    diacetone alcohol 2.66
    N,N-dimethylaniline 0.87
    acrylonitrile 2.89
    aniline 0.92
    1,3-propanediol 16.81
    bromobenzene 0.14
    dibromomethane 1.1
    1,1,2,2-tetrachloroethane 2.11
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 0.89
    diisobutyl methanol 0.15
    2-phenylethanol 1.16
    styrene 0.21
    dioctyl adipate 0.55
    dimethyl sulfate 14.11
    ethyl butyrate 0.75
    methyl lactate 16.55
    butyl lactate 2.2
    diethyl carbonate 0.71
    propanediol butyl ether 5.39
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 1.7
    morpholine 4.44
    tert-butylamine 0.26
    n-dodecanol 0.21
    dimethoxymethane 31.79
    ethylene carbonate 1.69
    cyrene 6.16
    2-ethoxyethyl acetate 1.31
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.34
    4-methylpyridine 1.07
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.15
    DEF 4.74
    dimethyl isosorbide 5.66
    tetrachloroethylene 1.86
    eugenol 3.5
    triacetin 1.45
    span 80 2.68
    1,4-butanediol 5.65
    1,1-dichloroethane 0.51
    2-methyl-1-pentanol 0.32
    methyl formate 35.22
    2-methyl-1-butanol 0.42
    n-decane 0.04
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.11
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.88
    tetrahydropyran 0.58
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 8.2
    1-hexene 0.15
    2-isopropoxyethanol 4.38
    2,2,2-trifluoroethanol 14.92
    methyl butyrate 1.38

    Scent© AI

1 3

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