CID 17388989

Overview IFRA Request a quote

  • Identifiers

    CAS number
    90045-36-6

    Molecular formula
    C14H11N7O6S

    SMILES
    C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-].N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.83%
    Grape 28.99%
    Fatty 24.34%
    Cooked 23.78%
    Bitter 23.51%
    Fruity 23.37%
    Burnt 22.65%
    Balsamic 22.08%
    Sweet 21.25%
    Nutty 20.7%

     

    Flavor
    Bitter 79.5%
    Odorless 52.83%
    Mild 25.91%
    Bland 24.99%
    Very mild 21.97%
    Nitrile 20.47%
    Sweet-like 19.96%
    Bread crust 19.54%
    Yeast 19.26%
    Roasted peanuts 18.82%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.97 (strong acid)

    Molecular weight
    405.35 g/mol

    Flash point

    • 300.93 ˚C est.

  • Synonyms

    • 90045-36-6
    • 10:1 purification aqueous extract
    • 24/6 GINKGO BILOBA EXTRACT 24/6
    • azane;3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid
    • 90045-36-6

  • Applications

    CID 17388989, CAS 90045-36-6, may be used as an intermediate in organic synthesis; may function as a solvent or processing aid in industrial manufacturing; may serve as a polymer additive or stabilizer affecting material properties; may be evaluated as a fragrance intermediate or odorant in perfumery; may act as a specialty additive in coatings and inks; may be used in cleaning formulations as a solvent or co-solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.3
    methanol 10.68
    isopropanol 4.61
    water 0.07
    ethyl acetate 12.23
    n-propanol 5.91
    acetone 29.06
    n-butanol 3.11
    acetonitrile 11.22
    DMF 371.72
    toluene 3.58
    isobutanol 3.19
    1,4-dioxane 50.28
    methyl acetate 39.42
    THF 74.76
    2-butanone 40.08
    n-pentanol 3.56
    sec-butanol 5.17
    n-hexane 0.06
    ethylene glycol 18.3
    NMP 274.34
    cyclohexane 0.09
    DMSO 140.13
    n-butyl acetate 12.66
    n-octanol 2.94
    chloroform 2.79
    n-propyl acetate 15.84
    acetic acid 24.61
    dichloromethane 4.21
    cyclohexanone 41.64
    propylene glycol 17.05
    isopropyl acetate 7.15
    DMAc 405.0
    2-ethoxyethanol 44.79
    isopentanol 2.32
    n-heptane 0.14
    ethyl formate 10.31
    1,2-dichloroethane 4.88
    n-hexanol 2.94
    2-methoxyethanol 74.25
    isobutyl acetate 5.21
    tetrachloromethane 0.2
    n-pentyl acetate 10.86
    transcutol 95.16
    n-heptanol 3.46
    ethylbenzene 1.44
    MIBK 5.89
    2-propoxyethanol 40.76
    tert-butanol 4.79
    MTBE 5.71
    2-butoxyethanol 21.66
    propionic acid 29.66
    o-xylene 2.56
    formic acid 30.42
    diethyl ether 5.28
    m-xylene 1.56
    p-xylene 2.15
    chlorobenzene 2.36
    dimethyl carbonate 36.33
    n-octane 0.11
    formamide 60.75
    cyclopentanone 75.31
    2-pentanone 13.77
    anisole 13.33
    cyclopentyl methyl ether 13.8
    gamma-butyrolactone 107.45
    1-methoxy-2-propanol 51.39
    pyridine 42.62
    3-pentanone 15.79
    furfural 80.29
    n-dodecane 0.14
    diethylene glycol 49.81
    diisopropyl ether 1.0
    tert-amyl alcohol 5.82
    acetylacetone 27.88
    n-hexadecane 0.17
    acetophenone 21.26
    methyl propionate 31.13
    isopentyl acetate 8.08
    trichloroethylene 12.74
    n-nonanol 3.6
    cyclohexanol 4.51
    benzyl alcohol 13.43
    2-ethylhexanol 2.21
    isooctanol 2.39
    dipropyl ether 5.42
    1,2-dichlorobenzene 2.38
    ethyl lactate 21.06
    propylene carbonate 27.04
    n-methylformamide 82.69
    2-pentanol 2.27
    n-pentane 0.06
    1-propoxy-2-propanol 27.31
    1-methoxy-2-propyl acetate 30.11
    2-(2-methoxypropoxy) propanol 32.36
    mesitylene 0.78
    ε-caprolactone 45.53
    p-cymene 1.35
    epichlorohydrin 60.5
    1,1,1-trichloroethane 1.55
    2-aminoethanol 17.71
    morpholine-4-carbaldehyde 250.78
    sulfolane 161.64
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 22.73
    n-hexyl acetate 10.33
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 38.54
    sec-butyl acetate 7.47
    tert-butyl acetate 8.7
    decalin 0.09
    glycerin 51.5
    diglyme 70.66
    acrylic acid 45.67
    isopropyl myristate 4.78
    n-butyric acid 11.73
    acetyl acetate 7.55
    di(2-ethylhexyl) phthalate 6.36
    ethyl propionate 13.97
    nitromethane 100.52
    1,2-diethoxyethane 21.15
    benzonitrile 10.89
    trioctyl phosphate 4.15
    1-bromopropane 1.59
    gamma-valerolactone 170.14
    n-decanol 2.9
    triethyl phosphate 7.35
    4-methyl-2-pentanol 1.23
    propionitrile 9.79
    vinylene carbonate 29.05
    1,1,2-trichlorotrifluoroethane 64.45
    DMS 27.13
    cumene 0.86
    2-octanol 2.45
    2-hexanone 14.76
    octyl acetate 7.38
    limonene 1.98
    1,2-dimethoxyethane 65.07
    ethyl orthosilicate 5.97
    tributyl phosphate 5.1
    diacetone alcohol 20.63
    N,N-dimethylaniline 9.12
    acrylonitrile 24.39
    aniline 9.54
    1,3-propanediol 15.29
    bromobenzene 1.57
    dibromomethane 1.63
    1,1,2,2-tetrachloroethane 10.51
    2-methyl-cyclohexyl acetate 9.53
    tetrabutyl urea 12.31
    diisobutyl methanol 1.43
    2-phenylethanol 11.02
    styrene 2.15
    dioctyl adipate 11.02
    dimethyl sulfate 82.25
    ethyl butyrate 10.65
    methyl lactate 47.74
    butyl lactate 14.98
    diethyl carbonate 8.08
    propanediol butyl ether 23.08
    triethyl orthoformate 10.0
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 18.45
    morpholine 69.48
    tert-butylamine 1.49
    n-dodecanol 2.26
    dimethoxymethane 88.32
    ethylene carbonate 19.43
    cyrene 55.19
    2-ethoxyethyl acetate 30.47
    2-ethylhexyl acetate 6.94
    1,2,4-trichlorobenzene 6.04
    4-methylpyridine 28.84
    dibutyl ether 4.37
    2,6-dimethyl-4-heptanol 1.43
    DEF 45.43
    dimethyl isosorbide 53.49
    tetrachloroethylene 4.85
    eugenol 23.0
    triacetin 28.52
    span 80 21.95
    1,4-butanediol 9.01
    1,1-dichloroethane 2.49
    2-methyl-1-pentanol 2.77
    methyl formate 56.95
    2-methyl-1-butanol 2.97
    n-decane 0.22
    butyronitrile 4.68
    3,7-dimethyl-1-octanol 2.46
    1-chlorooctane 1.05
    1-chlorotetradecane 0.61
    n-nonane 0.16
    undecane 0.17
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 8.21
    tetrahydropyran 15.75
    tert-amyl methyl ether 6.3
    2,5,8-trioxanonane 57.57
    1-hexene 0.45
    2-isopropoxyethanol 23.54
    2,2,2-trifluoroethanol 16.36
    methyl butyrate 18.19

    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