Picrate

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  • Identifiers

    CAS number
    14798-26-6

    Molecular formula
    C6H2N3O7-

    SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

  • Odor profile

    Fragrance
    Odorless 54.73%
    Sweet 51.02%
    Fatty 28.41%
    Powdery 26.84%
    Musk 26.17%
    Creamy 24.28%
    Dry 22.48%
    Caramellic 22.23%
    Burnt 21.75%
    Milky 21.18%

     

    Flavor
    Bitter 67.03%
    Odorless 53.8%
    Mild 24.95%
    Very mild 24.34%
    Bland 22.75%
    Nitrile 20.35%
    Sweet-like 20.17%
    Bread crust 19.51%
    Yeast 19.4%
    Rotten 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.55 (weak acid)

    Molecular weight
    228.1 g/mol

    Flash point

    • 149.72 ˚C est.

  • Synonyms

    • picrate
    • 2,4,6-trinitrophenolate
    • picrate anion
    • 2,4,6-Trinitrophenoxide
    • 14798-26-6
    • Pertite
    • 2,4,6-TNP
    • Lyddite
    • Shimose
    • picrate ion
    • SCHEMBL8744
    • 2,4,6-trinitrophenolate ion
    • 2,4,6-trinitrophenoxide ion
    • CHEBI:86297
    • DTXSID00403239
    • OXNIZHLAWKMVMX-UHFFFAOYSA-M
    • Q27159059

  • Applications

    Picrate salts (the salts of picric acid, CAS 14798-26-6) are primarily encountered as energetic materials, used in specialty explosive formulations, primers, detonators, and pyrotechnic compositions, where their high nitro content enables rapid energy release. They also have historical relevance as yellow dyes and pigment precursors for coatings and inks, though safety concerns limit modern use in consumer products. In laboratory and industrial settings, picrates serve as reagents and intermediates in organic synthesis and analytical chemistry, and they play a role in pigment and ink production. Their use is typically restricted to controlled environments and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.01
    methanol 101.65
    isopropanol 19.58
    water 3.74
    ethyl acetate 411.71
    n-propanol 32.14
    acetone 662.52
    n-butanol 17.2
    acetonitrile 494.69
    DMF 1028.69
    toluene 213.36
    isobutanol 16.0
    1,4-dioxane 575.0
    methyl acetate 633.9
    THF 621.4
    2-butanone 477.2
    n-pentanol 29.27
    sec-butanol 28.07
    n-hexane 3.24
    ethylene glycol 75.37
    NMP 1072.29
    cyclohexane 7.89
    DMSO 1365.49
    n-butyl acetate 225.13
    n-octanol 58.2
    chloroform 69.08
    n-propyl acetate 375.42
    acetic acid 181.85
    dichloromethane 175.92
    cyclohexanone 384.42
    propylene glycol 36.72
    isopropyl acetate 205.45
    DMAc 1090.2
    2-ethoxyethanol 286.62
    isopentanol 16.03
    n-heptane 7.32
    ethyl formate 203.57
    1,2-dichloroethane 212.03
    n-hexanol 37.89
    2-methoxyethanol 272.76
    isobutyl acetate 117.99
    tetrachloromethane 7.73
    n-pentyl acetate 162.5
    transcutol 788.34
    n-heptanol 36.47
    ethylbenzene 107.62
    MIBK 122.88
    2-propoxyethanol 246.91
    tert-butanol 30.61
    MTBE 88.87
    2-butoxyethanol 130.37
    propionic acid 160.37
    o-xylene 136.83
    formic acid 179.84
    diethyl ether 143.74
    m-xylene 109.35
    p-xylene 113.59
    chlorobenzene 155.14
    dimethyl carbonate 401.13
    n-octane 5.55
    formamide 536.15
    cyclopentanone 664.06
    2-pentanone 239.97
    anisole 490.7
    cyclopentyl methyl ether 246.36
    gamma-butyrolactone 950.17
    1-methoxy-2-propanol 161.46
    pyridine 655.44
    3-pentanone 308.01
    furfural 899.7
    n-dodecane 7.48
    diethylene glycol 249.74
    diisopropyl ether 45.33
    tert-amyl alcohol 39.94
    acetylacetone 616.08
    n-hexadecane 8.95
    acetophenone 547.23
    methyl propionate 447.18
    isopentyl acetate 139.49
    trichloroethylene 349.4
    n-nonanol 61.59
    cyclohexanol 37.98
    benzyl alcohol 204.68
    2-ethylhexanol 39.69
    isooctanol 27.13
    dipropyl ether 97.51
    1,2-dichlorobenzene 141.87
    ethyl lactate 181.66
    propylene carbonate 328.11
    n-methylformamide 499.85
    2-pentanol 18.25
    n-pentane 3.15
    1-propoxy-2-propanol 147.87
    1-methoxy-2-propyl acetate 326.15
    2-(2-methoxypropoxy) propanol 249.95
    mesitylene 55.76
    ε-caprolactone 402.33
    p-cymene 53.41
    epichlorohydrin 699.86
    1,1,1-trichloroethane 79.49
    2-aminoethanol 56.84
    morpholine-4-carbaldehyde 1122.62
    sulfolane 1089.25
    2,2,4-trimethylpentane 2.75
    2-methyltetrahydrofuran 320.25
    n-hexyl acetate 231.51
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 275.62
    sec-butyl acetate 199.6
    tert-butyl acetate 209.06
    decalin 7.01
    glycerin 89.07
    diglyme 563.9
    acrylic acid 237.05
    isopropyl myristate 103.81
    n-butyric acid 77.05
    acetyl acetate 320.35
    di(2-ethylhexyl) phthalate 76.84
    ethyl propionate 351.96
    nitromethane 1426.46
    1,2-diethoxyethane 305.83
    benzonitrile 276.92
    trioctyl phosphate 53.83
    1-bromopropane 57.59
    gamma-valerolactone 893.3
    n-decanol 51.79
    triethyl phosphate 107.31
    4-methyl-2-pentanol 13.89
    propionitrile 171.82
    vinylene carbonate 349.03
    1,1,2-trichlorotrifluoroethane 308.69
    DMS 423.29
    cumene 51.24
    2-octanol 31.73
    2-hexanone 261.01
    octyl acetate 148.97
    limonene 65.37
    1,2-dimethoxyethane 560.05
    ethyl orthosilicate 77.63
    tributyl phosphate 74.09
    diacetone alcohol 170.97
    N,N-dimethylaniline 228.92
    acrylonitrile 403.43
    aniline 190.33
    1,3-propanediol 49.84
    bromobenzene 139.2
    dibromomethane 76.37
    1,1,2,2-tetrachloroethane 182.13
    2-methyl-cyclohexyl acetate 153.83
    tetrabutyl urea 126.33
    diisobutyl methanol 22.55
    2-phenylethanol 175.5
    styrene 161.66
    dioctyl adipate 178.01
    dimethyl sulfate 696.86
    ethyl butyrate 202.39
    methyl lactate 241.24
    butyl lactate 111.88
    diethyl carbonate 148.12
    propanediol butyl ether 125.76
    triethyl orthoformate 116.23
    p-tert-butyltoluene 48.22
    methyl 4-tert-butylbenzoate 213.2
    morpholine 451.64
    tert-butylamine 13.3
    n-dodecanol 40.23
    dimethoxymethane 539.91
    ethylene carbonate 253.01
    cyrene 330.2
    2-ethoxyethyl acetate 362.06
    2-ethylhexyl acetate 133.65
    1,2,4-trichlorobenzene 203.59
    4-methylpyridine 484.62
    dibutyl ether 96.45
    2,6-dimethyl-4-heptanol 22.55
    DEF 409.76
    dimethyl isosorbide 436.98
    tetrachloroethylene 116.73
    eugenol 235.15
    triacetin 358.04
    span 80 142.84
    1,4-butanediol 44.65
    1,1-dichloroethane 89.23
    2-methyl-1-pentanol 30.04
    methyl formate 589.01
    2-methyl-1-butanol 18.97
    n-decane 11.3
    butyronitrile 75.62
    3,7-dimethyl-1-octanol 48.54
    1-chlorooctane 45.95
    1-chlorotetradecane 23.01
    n-nonane 9.34
    undecane 9.44
    tert-butylcyclohexane 4.76
    cyclooctane 5.45
    cyclopentanol 51.4
    tetrahydropyran 212.62
    tert-amyl methyl ether 106.43
    2,5,8-trioxanonane 457.16
    1-hexene 18.16
    2-isopropoxyethanol 178.65
    2,2,2-trifluoroethanol 132.57
    methyl butyrate 338.62

    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