2,6-Dinitrotoluene

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  • Identifiers

    CAS number
    606-20-2

    Molecular formula
    C7H6N2O4

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 63.04%
    Powdery 40.73%
    Fatty 38.61%
    Floral 35.85%
    Odorless 33.32%
    Musk 33.01%
    Creamy 31.72%
    Vanilla 29.83%
    Dry 28.68%
    Honey 28.5%

     

    Flavor
    Bitter 61.02%
    Odorless 50.54%
    Mild 27.38%
    Very mild 23.74%
    Bland 21.67%
    Nutty 21.62%
    Nitrile 21.29%
    Bread crust 20.8%
    Sweet-like 20.37%
    Roasted peanuts 20.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.66 (neutral)

    Molecular weight
    182.13 g/mol

    Melting point expt.

    • 151 °F (NTP, 1992)
    • 66.0 °C
    • 66 °C
    • 151 °F

    Boiling point

    • Decomposes (NTP, 1992)
    • 285 °C
    • decomposes

    Flash point

    • 149.88 ˚C est.
    • 404 °F (NTP, 1992)
    • 404 °F (closed cup)
    • 207 °C c.c.
    • 404 °F

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • In water, 204 mg/L at 25 °C
    • Soluble in ethanol and chloroform
    • Solubility in water: very poor

  • Synonyms

    • 2,6-DINITROTOLUENE
    • 606-20-2
    • 2-Methyl-1,3-dinitrobenzene
    • Benzene, 2-methyl-1,3-dinitro-
    • 2,6-DNT
    • 2,6-Dinitromethylbenzene
    • Toluene, 2,6-dinitro-
    • 1-Methyl-2,6-dinitrobenzene
    • RCRA waste number U106
    • 2-Methyl-1,3-dinitro-benzene
    • CCRIS 1006
    • HSDB 2931
    • GG7FAV92MK
    • EINECS 210-106-0
    • CHEBI:957
    • BRN 2052046
    • DTXSID5020528
    • MFCD00007158
    • DTXCID30528
    • DINITROTOLUENE, 2,6-
    • 2,6-DINITROTOLUENE [HSDB]
    • 2,6-DINITROTOLUENE [IARC]
    • 2,6-DINITROTOLUENE (IARC)
    • CAS-606-20-2
    • UNII-GG7FAV92MK
    • RCRA waste no. U106
    • 1,3-Dinitro-2-methylbenzene
    • 1,3-Dinitro 2-methyl benzene
    • Benzene, 2-methyl-1,3-dinitro-; Toluene, 2,6-dinitro- (8CI); 2-Methyl-1,3-dinitrobenzene; 1-Methyl-2,6-dinitrobenzene; 2,6-DNT; 2,6-Dinitrotoluene
    • Toluene, 2,6dinitro
    • 2,6Dinitromethylbenzene
    • 1Methyl2,6dinitrobenzene
    • 2Methyl1,3dinitrobenzene
    • Epitope ID:161173
    • Benzene, 2methyl1,3dinitro
    • 2,6-Dinitrotoluene, 98%
    • SCHEMBL472112
    • 2,6DNT
    • SGCUT00101
    • CHEMBL1328508
    • CHEBI:63756
    • to_000039
    • Tox21_201855
    • Tox21_300479
    • AKOS005254581
    • 2,6-Dinitrotoluene, analytical standard
    • NCGC00091312-01
    • NCGC00091312-02
    • NCGC00091312-03
    • NCGC00091312-04
    • NCGC00254319-01
    • NCGC00259404-01
    • AS-12673
    • D1151
    • NS00005295
    • EN300-50206
    • 2,6-Dinitrotoluene 10 microg/mL in Acetonitrile
    • A832811
    • Q2286646
    • F1091-0006
    • InChI=1/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H
    • 210-106-0

  • Applications

    2,6-Dinitrotoluene (CAS 606-20-2) is primarily used as an intermediate in the production of energetic materials, notably trinitrotoluene (TNT) and related nitroaromatic compounds. It is also subjected to catalytic hydrogenation to give 2,4- and 2,6-diaminotoluene (TDA), which serve as monomers or intermediates in polyurethane production and other industrial polymers. Additionally, it acts as a precursor in the synthesis of other nitroaromatic chemicals used in specialty chemicals, dyes, and pigments. In industrial chemical manufacturing, 2,6-Dinitrotoluene is treated as a midstream material for nitration and hydrogenation sequences to produce a range of aromatic products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.74
    methanol 26.33
    isopropanol 9.46
    water 0.17
    ethyl acetate 182.89
    n-propanol 13.63
    acetone 326.1
    n-butanol 11.5
    acetonitrile 182.8
    DMF 698.73
    toluene 84.72
    isobutanol 8.1
    1,4-dioxane 348.27
    methyl acetate 327.21
    THF 434.34
    2-butanone 239.54
    n-pentanol 17.65
    sec-butanol 12.67
    n-hexane 2.48
    ethylene glycol 21.0
    NMP 778.67
    cyclohexane 2.4
    DMSO 619.94
    n-butyl acetate 112.21
    n-octanol 15.69
    chloroform 171.97
    n-propyl acetate 135.08
    acetic acid 108.01
    dichloromethane 278.5
    cyclohexanone 237.85
    propylene glycol 12.9
    isopropyl acetate 92.22
    DMAc 494.36
    2-ethoxyethanol 101.31
    isopentanol 12.45
    n-heptane 3.78
    ethyl formate 109.38
    1,2-dichloroethane 245.91
    n-hexanol 25.42
    2-methoxyethanol 127.08
    isobutyl acetate 52.61
    tetrachloromethane 17.04
    n-pentyl acetate 71.94
    transcutol 459.39
    n-heptanol 15.37
    ethylbenzene 42.51
    MIBK 72.76
    2-propoxyethanol 113.17
    tert-butanol 21.16
    MTBE 48.57
    2-butoxyethanol 58.43
    propionic acid 75.26
    o-xylene 49.78
    formic acid 69.42
    diethyl ether 62.4
    m-xylene 51.18
    p-xylene 59.48
    chlorobenzene 160.34
    dimethyl carbonate 218.31
    n-octane 1.65
    formamide 210.06
    cyclopentanone 453.76
    2-pentanone 133.01
    anisole 190.2
    cyclopentyl methyl ether 117.03
    gamma-butyrolactone 684.05
    1-methoxy-2-propanol 83.31
    pyridine 362.4
    3-pentanone 153.36
    furfural 640.64
    n-dodecane 1.89
    diethylene glycol 118.07
    diisopropyl ether 23.4
    tert-amyl alcohol 23.16
    acetylacetone 377.04
    n-hexadecane 2.37
    acetophenone 204.21
    methyl propionate 212.7
    isopentyl acetate 83.02
    trichloroethylene 611.12
    n-nonanol 17.43
    cyclohexanol 19.73
    benzyl alcohol 87.23
    2-ethylhexanol 22.47
    isooctanol 13.16
    dipropyl ether 44.31
    1,2-dichlorobenzene 168.7
    ethyl lactate 74.92
    propylene carbonate 241.44
    n-methylformamide 242.71
    2-pentanol 10.56
    n-pentane 1.5
    1-propoxy-2-propanol 70.17
    1-methoxy-2-propyl acetate 165.65
    2-(2-methoxypropoxy) propanol 118.55
    mesitylene 29.86
    ε-caprolactone 233.21
    p-cymene 26.88
    epichlorohydrin 645.97
    1,1,1-trichloroethane 172.16
    2-aminoethanol 20.79
    morpholine-4-carbaldehyde 698.49
    sulfolane 761.49
    2,2,4-trimethylpentane 2.04
    2-methyltetrahydrofuran 209.65
    n-hexyl acetate 96.14
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 133.58
    sec-butyl acetate 74.81
    tert-butyl acetate 125.82
    decalin 4.95
    glycerin 41.66
    diglyme 307.72
    acrylic acid 131.71
    isopropyl myristate 47.87
    n-butyric acid 54.01
    acetyl acetate 186.78
    di(2-ethylhexyl) phthalate 48.1
    ethyl propionate 135.77
    nitromethane 920.84
    1,2-diethoxyethane 150.25
    benzonitrile 158.99
    trioctyl phosphate 31.36
    1-bromopropane 55.75
    gamma-valerolactone 607.22
    n-decanol 14.5
    triethyl phosphate 63.06
    4-methyl-2-pentanol 10.17
    propionitrile 73.39
    vinylene carbonate 262.62
    1,1,2-trichlorotrifluoroethane 292.88
    DMS 234.85
    cumene 23.59
    2-octanol 11.51
    2-hexanone 118.83
    octyl acetate 62.23
    limonene 34.5
    1,2-dimethoxyethane 258.35
    ethyl orthosilicate 48.99
    tributyl phosphate 47.04
    diacetone alcohol 115.93
    N,N-dimethylaniline 90.51
    acrylonitrile 211.81
    aniline 80.16
    1,3-propanediol 25.27
    bromobenzene 168.83
    dibromomethane 120.85
    1,1,2,2-tetrachloroethane 285.29
    2-methyl-cyclohexyl acetate 79.3
    tetrabutyl urea 63.96
    diisobutyl methanol 16.39
    2-phenylethanol 85.31
    styrene 70.98
    dioctyl adipate 90.77
    dimethyl sulfate 445.95
    ethyl butyrate 91.37
    methyl lactate 114.01
    butyl lactate 55.16
    diethyl carbonate 77.32
    propanediol butyl ether 55.72
    triethyl orthoformate 64.52
    p-tert-butyltoluene 28.38
    methyl 4-tert-butylbenzoate 122.67
    morpholine 249.94
    tert-butylamine 10.01
    n-dodecanol 11.94
    dimethoxymethane 296.41
    ethylene carbonate 169.24
    cyrene 161.73
    2-ethoxyethyl acetate 172.15
    2-ethylhexyl acetate 71.23
    1,2,4-trichlorobenzene 208.31
    4-methylpyridine 279.12
    dibutyl ether 36.12
    2,6-dimethyl-4-heptanol 16.39
    DEF 217.07
    dimethyl isosorbide 283.01
    tetrachloroethylene 175.94
    eugenol 122.96
    triacetin 196.78
    span 80 78.86
    1,4-butanediol 17.58
    1,1-dichloroethane 131.82
    2-methyl-1-pentanol 19.92
    methyl formate 310.62
    2-methyl-1-butanol 11.77
    n-decane 2.61
    butyronitrile 43.71
    3,7-dimethyl-1-octanol 20.46
    1-chlorooctane 15.56
    1-chlorotetradecane 9.01
    n-nonane 2.03
    undecane 2.22
    tert-butylcyclohexane 4.18
    cyclooctane 1.41
    cyclopentanol 32.82
    tetrahydropyran 117.75
    tert-amyl methyl ether 49.68
    2,5,8-trioxanonane 246.02
    1-hexene 13.24
    2-isopropoxyethanol 68.91
    2,2,2-trifluoroethanol 96.02
    methyl butyrate 152.56

    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