Sodium Picramate

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  • Identifiers

    CAS number
    831-52-7

    Molecular formula
    C6H4N3NaO5

    SMILES
    C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 67.09%
    Sweet 35.88%
    Musk 22.63%
    Bitter 22.06%
    Powdery 21.73%
    Milky 21.43%
    Fatty 21.18%
    Vanilla 19.4%
    Dry 18.91%
    Creamy 18.67%

     

    Flavor
    Bitter 69.48%
    Odorless 54.69%
    Mild 28.89%
    Bland 23.45%
    Very mild 23.0%
    Sweet-like 20.74%
    Nitrile 20.73%
    Yeast 19.81%
    Bread crust 19.78%
    Very strong 19.24%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.64 (neutral)

    Molecular weight
    221.1 g/mol

    Flash point

    • 167.0 ˚C est.

  • Synonyms

    • Sodium picramate
    • 831-52-7
    • Phenol, 2-amino-4,6-dinitro-, monosodium salt
    • 2-Amino-4,6-dinitrophenol monosodium salt
    • EINECS 212-603-8
    • UNII-4988SZV57R
    • 2-Amino-4,6-dinitrophenol, sodium salt
    • 4988SZV57R
    • DTXSID2061193
    • Phenol, 2-amino-4,6-dinitro-, sodium salt
    • EC 212-603-8
    • Phenol, 2-amino-4,6-dinitro-, sodium salt (1:1)
    • SODIUM PICRAMATE, (WET, WITH >= 20% WATER)
    • SODIUM PICRAMATE, [WET, WITH >= 20% WATER]
    • SODIUM PICRAMINATE
    • RefChem:184081
    • SODIUM PICRAMATE [INCI]
    • DTXCID5048346
    • PICRAMIC ACID, SODIUM DERIV.
    • SODIUM PICRAMATE, WETTED WITH NOT LESS THAN 20% WATER
    • 212-603-8
    • Picramic Acid Sodium Salt
    • Sodium 2-amino-4,6-dinitrophenoxide
    • sodium 2-amino-4,6-dinitrophenolate
    • sodium;2-amino-4,6-dinitrophenolate
    • Sodium, (2-amino-4,6-dinitrophenoxy)-
    • UN0235
    • UN1349
    • Picramic acid, sodium salt
    • Natriumpikramat
    • sodium 2-amino-4,6-dinitrophenol
    • SCHEMBL1985470
    • AKOS015890650
    • AB02061
    • sodium 2-azanyl-4,6-dinitro-phenolate
    • DB-056684
    • NS00078458
    • SODIUM 6-AMINO-2,4-DINITROPHENOLATE
    • A840512
    • Q3902691
    • Sodium picramate, wetted with not <20% water, by mass
    • Sodium picramate, dry or wetted with <20% water, by mass
    • Sodium picramate, dry or wetted with <20% water, by mass [UN0235] [Explosive 1.3C]
    • Sodium picramate, wetted with not <20% water, by mass [UN1349] [Flammable solid]
    • 831-52-7

  • Applications

    Sodium picramate is mainly used as an industrial chemical intermediate in the synthesis of azo dyes and related pigments; it can serve as a colorant precursor for coatings, inks, and plastics; in textile dyeing it has been employed as a dyeing auxiliary or mordant in specialty pigment/dye applications; in research and development it is used as a reagent for transformations of nitroaromatic compounds; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.32
    methanol 97.06
    isopropanol 28.63
    water 3.35
    ethyl acetate 133.52
    n-propanol 35.86
    acetone 375.55
    n-butanol 19.88
    acetonitrile 175.65
    DMF 421.18
    toluene 17.3
    isobutanol 15.49
    1,4-dioxane 237.84
    methyl acetate 254.68
    THF 544.96
    2-butanone 242.04
    n-pentanol 26.38
    sec-butanol 27.07
    n-hexane 0.68
    ethylene glycol 67.13
    NMP 330.63
    cyclohexane 1.05
    DMSO 1031.15
    n-butyl acetate 55.82
    n-octanol 25.98
    chloroform 9.54
    n-propyl acetate 102.32
    acetic acid 77.65
    dichloromethane 27.53
    cyclohexanone 107.86
    propylene glycol 29.39
    isopropyl acetate 57.2
    DMAc 466.04
    2-ethoxyethanol 192.26
    isopentanol 17.18
    n-heptane 1.6
    ethyl formate 71.68
    1,2-dichloroethane 43.16
    n-hexanol 24.07
    2-methoxyethanol 225.0
    isobutyl acetate 25.43
    tetrachloromethane 1.61
    n-pentyl acetate 38.54
    transcutol 234.72
    n-heptanol 20.27
    ethylbenzene 12.73
    MIBK 47.87
    2-propoxyethanol 117.33
    tert-butanol 39.87
    MTBE 48.37
    2-butoxyethanol 61.4
    propionic acid 56.11
    o-xylene 15.0
    formic acid 102.54
    diethyl ether 79.18
    m-xylene 10.5
    p-xylene 13.84
    chlorobenzene 11.94
    dimethyl carbonate 100.72
    n-octane 1.21
    formamide 264.6
    cyclopentanone 255.9
    2-pentanone 117.08
    anisole 82.31
    cyclopentyl methyl ether 80.32
    gamma-butyrolactone 299.52
    1-methoxy-2-propanol 114.58
    pyridine 125.13
    3-pentanone 104.73
    furfural 176.11
    n-dodecane 1.48
    diethylene glycol 130.44
    diisopropyl ether 12.96
    tert-amyl alcohol 34.9
    acetylacetone 166.44
    n-hexadecane 1.76
    acetophenone 83.31
    methyl propionate 142.19
    isopentyl acetate 34.47
    trichloroethylene 46.52
    n-nonanol 25.91
    cyclohexanol 17.05
    benzyl alcohol 44.74
    2-ethylhexanol 15.36
    isooctanol 13.81
    dipropyl ether 30.06
    1,2-dichlorobenzene 11.97
    ethyl lactate 52.42
    propylene carbonate 71.53
    n-methylformamide 210.44
    2-pentanol 15.39
    n-pentane 0.78
    1-propoxy-2-propanol 61.35
    1-methoxy-2-propyl acetate 73.57
    2-(2-methoxypropoxy) propanol 71.71
    mesitylene 6.09
    ε-caprolactone 97.37
    p-cymene 9.57
    epichlorohydrin 270.19
    1,1,1-trichloroethane 11.54
    2-aminoethanol 52.66
    morpholine-4-carbaldehyde 285.53
    sulfolane 344.74
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 157.72
    n-hexyl acetate 51.7
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 95.42
    sec-butyl acetate 46.41
    tert-butyl acetate 58.11
    decalin 0.84
    glycerin 55.87
    diglyme 178.98
    acrylic acid 64.03
    isopropyl myristate 24.05
    n-butyric acid 35.93
    acetyl acetate 61.34
    di(2-ethylhexyl) phthalate 19.16
    ethyl propionate 91.42
    nitromethane 471.69
    1,2-diethoxyethane 82.04
    benzonitrile 41.39
    trioctyl phosphate 16.26
    1-bromopropane 14.53
    gamma-valerolactone 265.3
    n-decanol 20.65
    triethyl phosphate 26.99
    4-methyl-2-pentanol 9.46
    propionitrile 68.44
    vinylene carbonate 59.58
    1,1,2-trichlorotrifluoroethane 88.15
    DMS 69.75
    cumene 7.56
    2-octanol 14.51
    2-hexanone 95.09
    octyl acetate 35.33
    limonene 12.17
    1,2-dimethoxyethane 273.11
    ethyl orthosilicate 20.78
    tributyl phosphate 18.17
    diacetone alcohol 77.87
    N,N-dimethylaniline 42.45
    acrylonitrile 115.66
    aniline 28.95
    1,3-propanediol 56.25
    bromobenzene 8.49
    dibromomethane 13.34
    1,1,2,2-tetrachloroethane 31.11
    2-methyl-cyclohexyl acetate 33.5
    tetrabutyl urea 32.1
    diisobutyl methanol 8.9
    2-phenylethanol 44.82
    styrene 15.79
    dioctyl adipate 34.94
    dimethyl sulfate 180.82
    ethyl butyrate 48.42
    methyl lactate 73.67
    butyl lactate 29.32
    diethyl carbonate 34.99
    propanediol butyl ether 51.81
    triethyl orthoformate 28.63
    p-tert-butyltoluene 8.76
    methyl 4-tert-butylbenzoate 46.47
    morpholine 204.6
    tert-butylamine 11.61
    n-dodecanol 15.41
    dimethoxymethane 268.51
    ethylene carbonate 49.44
    cyrene 83.59
    2-ethoxyethyl acetate 79.36
    2-ethylhexyl acetate 28.63
    1,2,4-trichlorobenzene 18.82
    4-methylpyridine 85.44
    dibutyl ether 28.4
    2,6-dimethyl-4-heptanol 8.9
    DEF 133.99
    dimethyl isosorbide 109.36
    tetrachloroethylene 18.65
    eugenol 55.29
    triacetin 59.55
    span 80 37.46
    1,4-butanediol 38.15
    1,1-dichloroethane 17.46
    2-methyl-1-pentanol 19.17
    methyl formate 213.83
    2-methyl-1-butanol 16.36
    n-decane 2.41
    butyronitrile 36.64
    3,7-dimethyl-1-octanol 17.92
    1-chlorooctane 11.01
    1-chlorotetradecane 5.14
    n-nonane 1.99
    undecane 1.91
    tert-butylcyclohexane 0.74
    cyclooctane 0.59
    cyclopentanol 28.41
    tetrahydropyran 96.91
    tert-amyl methyl ether 41.97
    2,5,8-trioxanonane 136.16
    1-hexene 4.74
    2-isopropoxyethanol 95.44
    2,2,2-trifluoroethanol 48.56
    methyl butyrate 98.63

    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