Dinitro-o-cresol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1335-85-9

    Molecular formula
    C7H6N2O5

    SMILES
    CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])O

  • Odor profile

    Fragrance
    Sweet 56.06%
    Odorless 48.12%
    Powdery 34.09%
    Vanilla 31.07%
    Creamy 30.76%
    Fatty 30.66%
    Musk 30.14%
    Dry 28.27%
    Phenolic 26.86%
    Milky 26.15%

     

    Flavor
    Bitter 68.51%
    Odorless 52.03%
    Mild 27.98%
    Bland 24.53%
    Very mild 23.48%
    Sweet-like 21.34%
    Nitrile 20.94%
    Bread crust 20.46%
    Yeast 19.66%
    Roasted peanuts 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.67 (neutral)

    Molecular weight
    198.13 g/mol

    Melting point expt.

    • 87.5 °C
    • 190 °F

    Boiling point

    • 312 °C
    • 594 °F

    Flash point

    • 169.8 ˚C est.

    Solubility expt.

    • Solubility in water, g/100ml at 20 °C: 0.694
    • 0.01%

  • Synonyms

    • Dinitro-o-cresol
    • 2-Methyldinitrophenol
    • o-Cresol, dinitro-
    • 2-methyl-3,4-dinitrophenol
    • Phenol, 2-methyldinitro-
    • 1335-85-9
    • DTXSID6073942
    • dinitrokresol
    • Dinitroocresol
    • Dwunitrookrezol
    • FlavinSamdoz
    • KresoniteE
    • dinitroorthocresol
    • 4,6Dinitrokresol
    • 2,4Dinitroocresol
    • 4,6Dinitroocresol
    • 4,6Dinitrookresol
    • 4,6Dinitroocresolo
    • Dndry mix no. 2
    • LE dinitrocresol4,6
    • Dinitroocresol (VAN)
    • oCresol, 4,6,dinitro
    • 2,4Dinitro6methylphenol
    • 2Methyl4,6dinitrophenol
    • 6Methyl2,4dinitrophenol
    • 3,5Dinitro2hydroxytoluene
    • 2,4-Dinitro-ortho-cresol
    • Toluene, 3,5dinitro2hydroxy
    • SCHEMBL258792
    • 4,6-dinitro-2-methyl phenol
    • DTXCID9034151
    • Phenol, 2-methyldinitro-(9CI)
    • Dinitro-o-cresol (ACGIH:OSHA)
    • IUOFDOCUNLJHFO-UHFFFAOYSA-N
    • AI301567
    • NS00122373

  • Applications

    DNOC is primarily used as an agricultural pesticide, functioning as a contact insecticide and acaricide for a range of crops, and is formulated in crop protection products. It is also employed as a chemical intermediate in the synthesis of nitroaromatic compounds and related dyes and pigments. In industrial settings, DNOC serves as a building block for the synthesis of specialty chemicals and agrochemical intermediates. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.54
    methanol 34.78
    isopropanol 22.96
    water 0.18
    ethyl acetate 84.17
    n-propanol 23.3
    acetone 244.26
    n-butanol 18.73
    acetonitrile 94.59
    DMF 266.58
    toluene 13.42
    isobutanol 13.77
    1,4-dioxane 169.56
    methyl acetate 182.34
    THF 514.48
    2-butanone 181.95
    n-pentanol 19.33
    sec-butanol 27.54
    n-hexane 0.89
    ethylene glycol 19.21
    NMP 280.77
    cyclohexane 0.78
    DMSO 546.98
    n-butyl acetate 34.84
    n-octanol 13.98
    chloroform 19.46
    n-propyl acetate 44.78
    acetic acid 35.56
    dichloromethane 47.05
    cyclohexanone 73.86
    propylene glycol 12.38
    isopropyl acetate 42.29
    DMAc 304.31
    2-ethoxyethanol 79.77
    isopentanol 19.62
    n-heptane 1.67
    ethyl formate 37.14
    1,2-dichloroethane 59.36
    n-hexanol 19.4
    2-methoxyethanol 119.95
    isobutyl acetate 17.0
    tetrachloromethane 3.69
    n-pentyl acetate 26.58
    transcutol 152.25
    n-heptanol 12.64
    ethylbenzene 10.71
    MIBK 40.53
    2-propoxyethanol 69.55
    tert-butanol 47.4
    MTBE 60.55
    2-butoxyethanol 38.1
    propionic acid 30.69
    o-xylene 11.92
    formic acid 32.45
    diethyl ether 65.93
    m-xylene 9.01
    p-xylene 12.73
    chlorobenzene 15.74
    dimethyl carbonate 65.88
    n-octane 0.99
    formamide 101.75
    cyclopentanone 208.52
    2-pentanone 85.67
    anisole 56.28
    cyclopentyl methyl ether 67.8
    gamma-butyrolactone 212.72
    1-methoxy-2-propanol 71.37
    pyridine 82.5
    3-pentanone 79.55
    furfural 120.39
    n-dodecane 1.25
    diethylene glycol 65.37
    diisopropyl ether 14.02
    tert-amyl alcohol 45.19
    acetylacetone 122.99
    n-hexadecane 1.49
    acetophenone 50.22
    methyl propionate 92.17
    isopentyl acetate 30.41
    trichloroethylene 80.39
    n-nonanol 14.52
    cyclohexanol 14.3
    benzyl alcohol 26.76
    2-ethylhexanol 12.87
    isooctanol 10.07
    dipropyl ether 22.33
    1,2-dichlorobenzene 18.25
    ethyl lactate 23.14
    propylene carbonate 60.19
    n-methylformamide 98.25
    2-pentanol 16.76
    n-pentane 0.86
    1-propoxy-2-propanol 36.3
    1-methoxy-2-propyl acetate 55.57
    2-(2-methoxypropoxy) propanol 53.42
    mesitylene 5.69
    ε-caprolactone 71.25
    p-cymene 8.99
    epichlorohydrin 269.8
    1,1,1-trichloroethane 32.48
    2-aminoethanol 20.87
    morpholine-4-carbaldehyde 208.65
    sulfolane 257.71
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 173.87
    n-hexyl acetate 38.86
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 62.84
    sec-butyl acetate 28.02
    tert-butyl acetate 60.76
    decalin 1.56
    glycerin 25.35
    diglyme 134.69
    acrylic acid 31.89
    isopropyl myristate 19.85
    n-butyric acid 23.99
    acetyl acetate 51.04
    di(2-ethylhexyl) phthalate 19.24
    ethyl propionate 49.03
    nitromethane 277.85
    1,2-diethoxyethane 54.17
    benzonitrile 26.86
    trioctyl phosphate 13.89
    1-bromopropane 20.16
    gamma-valerolactone 181.11
    n-decanol 11.66
    triethyl phosphate 22.55
    4-methyl-2-pentanol 10.56
    propionitrile 39.88
    vinylene carbonate 43.88
    1,1,2-trichlorotrifluoroethane 80.87
    DMS 55.71
    cumene 7.77
    2-octanol 9.92
    2-hexanone 55.46
    octyl acetate 25.89
    limonene 12.96
    1,2-dimethoxyethane 158.15
    ethyl orthosilicate 19.08
    tributyl phosphate 15.96
    diacetone alcohol 77.89
    N,N-dimethylaniline 30.49
    acrylonitrile 63.81
    aniline 19.36
    1,3-propanediol 30.4
    bromobenzene 14.27
    dibromomethane 23.65
    1,1,2,2-tetrachloroethane 51.17
    2-methyl-cyclohexyl acetate 28.69
    tetrabutyl urea 25.93
    diisobutyl methanol 8.68
    2-phenylethanol 31.32
    styrene 12.73
    dioctyl adipate 29.45
    dimethyl sulfate 132.06
    ethyl butyrate 29.22
    methyl lactate 39.82
    butyl lactate 18.2
    diethyl carbonate 24.39
    propanediol butyl ether 27.54
    triethyl orthoformate 22.13
    p-tert-butyltoluene 8.86
    methyl 4-tert-butylbenzoate 44.26
    morpholine 149.93
    tert-butylamine 15.69
    n-dodecanol 8.91
    dimethoxymethane 177.55
    ethylene carbonate 36.06
    cyrene 71.66
    2-ethoxyethyl acetate 53.66
    2-ethylhexyl acetate 24.86
    1,2,4-trichlorobenzene 27.77
    4-methylpyridine 58.25
    dibutyl ether 19.47
    2,6-dimethyl-4-heptanol 8.68
    DEF 92.75
    dimethyl isosorbide 110.95
    tetrachloroethylene 29.26
    eugenol 42.07
    triacetin 48.67
    span 80 29.11
    1,4-butanediol 15.51
    1,1-dichloroethane 32.06
    2-methyl-1-pentanol 19.61
    methyl formate 101.61
    2-methyl-1-butanol 18.44
    n-decane 1.87
    butyronitrile 24.13
    3,7-dimethyl-1-octanol 13.06
    1-chlorooctane 9.14
    1-chlorotetradecane 4.8
    n-nonane 1.51
    undecane 1.53
    tert-butylcyclohexane 1.5
    cyclooctane 0.5
    cyclopentanol 26.77
    tetrahydropyran 76.8
    tert-amyl methyl ether 56.18
    2,5,8-trioxanonane 107.09
    1-hexene 5.4
    2-isopropoxyethanol 51.29
    2,2,2-trifluoroethanol 27.38
    methyl butyrate 51.6

    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