2-Hydroxyethyl picramic acid

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  • Identifiers

    CAS number
    99610-72-7

    Molecular formula
    C8H9N3O6

    SMILES
    C1=C(C=C(C(=C1NCCO)O)[N+](=O)[O-])[N+](=O)[O-]

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 65.38%
    Sweet 43.1%
    Milky 23.69%
    Savory 22.64%
    Vanilla 20.86%
    Bitter 20.54%
    Creamy 18.94%
    Musk 16.62%
    Fatty 16.4%
    Powdery 16.33%

     

    Flavor
    Bitter 62.95%
    Odorless 61.56%
    Mild 32.23%
    Bland 28.42%
    Very mild 26.7%
    Sweet-like 23.33%
    Yeast 20.66%
    Nitrile 20.14%
    Bread crust 19.7%
    Orange flower 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.44 (weak base)

    Molecular weight
    243.17 g/mol

    Flash point

    • 222.04 ˚C est.

  • Synonyms

    • 2-((2-Hydroxyethyl)amino)-4,6-dinitrophenol
    • 99610-72-7
    • 2-Hydroxyethyl picramic acid
    • UNII-KZ27KOJ0GZ
    • KZ27KOJ0GZ
    • 2-Hydroxyethyl picramic acid [INCI]
    • EC 412-520-9
    • DTXSID40244163
    • 2-[(2-hydroxyethyl)amino]-4,6-dinitrophenol
    • RefChem:87541
    • DTXCID40166654
    • 2-(2-hydroxyethylamino)-4,6-dinitrophenol
    • Phenol, 2-((2-hydroxyethyl)amino)-4,6-dinitro-
    • 2-(2-Hydroxy-3,5-dinitroanilino)ethanol
    • Phenol, 2-[(2-hydroxyethyl)amino]-4,6-dinitro-
    • SCHEMBL23789
    • 4,6-DINITRO-2-(2-HYDROXYETHYL)AMINOPHENOL
    • OABRBVCUJIJMOB-UHFFFAOYSA-N
    • MFCD10565600
    • AKOS015999886
    • NS00002683
    • 2-((2-Hydroxyethyl)amino)-4,6-dinitrophenol;
    • Q27282517
    • 99610-72-7

  • Applications

    2-Hydroxyethyl picramic acid (CAS 99610-72-7) is primarily used as an industrial synthesis intermediate and is commonly evaluated for dye and pigment chemistry as a building block for specialty colorants; it can function as a reactive modifier or crosslinking component in polymer and coating formulations, expanding the functionality of resins and primers; in metal-processing contexts it may act as a chelating/complexing agent, aiding dispersion and stabilization of metal species; it is also encountered in research and development as a precursor for bespoke specialty chemicals and as a starting point for synthetic routes in electronics or optics-related materials, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.29
    methanol 36.85
    isopropanol 10.54
    water 1.2
    ethyl acetate 13.57
    n-propanol 11.09
    acetone 58.64
    n-butanol 5.68
    acetonitrile 19.68
    DMF 234.59
    toluene 1.75
    isobutanol 4.88
    1,4-dioxane 20.95
    methyl acetate 30.67
    THF 81.62
    2-butanone 37.21
    n-pentanol 6.35
    sec-butanol 7.33
    n-hexane 0.1
    ethylene glycol 30.72
    NMP 364.02
    cyclohexane 0.13
    DMSO 547.88
    n-butyl acetate 15.25
    n-octanol 4.25
    chloroform 0.44
    n-propyl acetate 15.24
    acetic acid 42.14
    dichloromethane 1.88
    cyclohexanone 27.49
    propylene glycol 20.87
    isopropyl acetate 7.79
    DMAc 341.11
    2-ethoxyethanol 62.95
    isopentanol 5.62
    n-heptane 0.33
    ethyl formate 12.61
    1,2-dichloroethane 3.67
    n-hexanol 7.0
    2-methoxyethanol 92.77
    isobutyl acetate 4.31
    tetrachloromethane 0.17
    n-pentyl acetate 8.21
    transcutol 90.85
    n-heptanol 5.5
    ethylbenzene 1.62
    MIBK 9.13
    2-propoxyethanol 48.18
    tert-butanol 14.19
    MTBE 6.29
    2-butoxyethanol 25.94
    propionic acid 24.87
    o-xylene 2.53
    formic acid 80.35
    diethyl ether 4.95
    m-xylene 1.63
    p-xylene 2.11
    chlorobenzene 1.18
    dimethyl carbonate 24.31
    n-octane 0.17
    formamide 169.12
    cyclopentanone 84.18
    2-pentanone 17.17
    anisole 11.63
    cyclopentyl methyl ether 12.45
    gamma-butyrolactone 125.69
    1-methoxy-2-propanol 54.91
    pyridine 23.57
    3-pentanone 14.82
    furfural 76.84
    n-dodecane 0.15
    diethylene glycol 59.4
    diisopropyl ether 1.35
    tert-amyl alcohol 11.53
    acetylacetone 35.12
    n-hexadecane 0.18
    acetophenone 25.41
    methyl propionate 28.38
    isopentyl acetate 11.02
    trichloroethylene 4.75
    n-nonanol 4.46
    cyclohexanol 4.52
    benzyl alcohol 14.38
    2-ethylhexanol 4.43
    isooctanol 3.89
    dipropyl ether 5.7
    1,2-dichlorobenzene 1.85
    ethyl lactate 21.02
    propylene carbonate 28.39
    n-methylformamide 92.76
    2-pentanol 3.61
    n-pentane 0.09
    1-propoxy-2-propanol 30.31
    1-methoxy-2-propyl acetate 28.05
    2-(2-methoxypropoxy) propanol 34.19
    mesitylene 1.2
    ε-caprolactone 35.15
    p-cymene 2.57
    epichlorohydrin 60.14
    1,1,1-trichloroethane 0.95
    2-aminoethanol 30.62
    morpholine-4-carbaldehyde 156.01
    sulfolane 238.39
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 26.31
    n-hexyl acetate 10.11
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 40.35
    sec-butyl acetate 6.94
    tert-butyl acetate 11.53
    decalin 0.16
    glycerin 50.13
    diglyme 69.91
    acrylic acid 33.89
    isopropyl myristate 4.35
    n-butyric acid 12.68
    acetyl acetate 8.3
    di(2-ethylhexyl) phthalate 7.89
    ethyl propionate 13.95
    nitromethane 144.57
    1,2-diethoxyethane 15.03
    benzonitrile 8.99
    trioctyl phosphate 5.53
    1-bromopropane 1.0
    gamma-valerolactone 103.59
    n-decanol 3.52
    triethyl phosphate 10.18
    4-methyl-2-pentanol 2.34
    propionitrile 10.32
    vinylene carbonate 21.6
    1,1,2-trichlorotrifluoroethane 51.51
    DMS 20.0
    cumene 1.42
    2-octanol 2.93
    2-hexanone 15.76
    octyl acetate 7.37
    limonene 3.19
    1,2-dimethoxyethane 57.33
    ethyl orthosilicate 7.58
    tributyl phosphate 6.38
    diacetone alcohol 34.33
    N,N-dimethylaniline 10.83
    acrylonitrile 24.72
    aniline 6.43
    1,3-propanediol 29.74
    bromobenzene 0.84
    dibromomethane 0.82
    1,1,2,2-tetrachloroethane 3.7
    2-methyl-cyclohexyl acetate 12.59
    tetrabutyl urea 13.61
    diisobutyl methanol 2.33
    2-phenylethanol 14.6
    styrene 1.8
    dioctyl adipate 10.75
    dimethyl sulfate 85.85
    ethyl butyrate 13.13
    methyl lactate 38.12
    butyl lactate 13.77
    diethyl carbonate 10.1
    propanediol butyl ether 23.5
    triethyl orthoformate 9.85
    p-tert-butyltoluene 2.31
    methyl 4-tert-butylbenzoate 22.93
    morpholine 42.28
    tert-butylamine 3.26
    n-dodecanol 2.56
    dimethoxymethane 63.59
    ethylene carbonate 14.66
    cyrene 59.3
    2-ethoxyethyl acetate 19.13
    2-ethylhexyl acetate 8.39
    1,2,4-trichlorobenzene 3.79
    4-methylpyridine 19.81
    dibutyl ether 3.66
    2,6-dimethyl-4-heptanol 2.33
    DEF 45.29
    dimethyl isosorbide 56.48
    tetrachloroethylene 2.3
    eugenol 24.0
    triacetin 22.78
    span 80 19.38
    1,4-butanediol 15.62
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 5.39
    methyl formate 63.16
    2-methyl-1-butanol 5.28
    n-decane 0.25
    butyronitrile 5.6
    3,7-dimethyl-1-octanol 3.5
    1-chlorooctane 1.14
    1-chlorotetradecane 0.57
    n-nonane 0.21
    undecane 0.2
    tert-butylcyclohexane 0.14
    cyclooctane 0.09
    cyclopentanol 10.12
    tetrahydropyran 7.81
    tert-amyl methyl ether 6.78
    2,5,8-trioxanonane 56.98
    1-hexene 0.59
    2-isopropoxyethanol 31.13
    2,2,2-trifluoroethanol 24.59
    methyl butyrate 19.25

    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