2,4-Dinitrotoluene

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  • Identifiers

    CAS number
    121-14-2

    Molecular formula
    C7H6N2O4

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 59.08%
    Powdery 39.38%
    Floral 36.34%
    Odorless 35.59%
    Fatty 35.27%
    Creamy 30.67%
    Vanilla 30.45%
    Musk 29.25%
    Honey 28.66%
    Phenolic 26.31%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.28 (neutral)

    Molecular weight
    182.13 g/mol

    Melting point expt.

    • 153 to 158 °F (NTP, 1992)
    • 70.5 °C
    • 71 °C
    • 158 °F

    Boiling point

    • 572 °F at 760 mmHg (Decomposes) (NTP, 1992)
    • 300 °C (decomposes)
    • 572 °F

    Flash point est.
    150.69 ˚C

    Flash point expt.

    • 405 °F (NTP, 1992)
    • 404 °F (207 °F) (Closed cup)
    • 169 °C c.c.
    • 404 °F

    Solubility expt.

    • less than 0.1 mg/mL at 63 °F (NTP, 1992)
    • Soluble in ethanol, chloroform, benzene and ethyl ether; very soluble in acetone, pyridine
    • Ethanol, at 15 °C, 30.46 g/L; diethyl ether, at 22 °C, 94 g/L; carbon disulfide, at 17 °C, 21.9 g/L
    • In water, 2.70X10+2 mg/L at 22 °C
    • In water, 200 mg/L at 25 °C
    • Solubility in water: very poor

  • Synonyms

    • 2,4-DINITROTOLUENE
    • 121-14-2
    • 1-Methyl-2,4-dinitrobenzene
    • 2,4-Dinitrotoluol
    • Benzene, 1-methyl-2,4-dinitro-
    • 2,4-DNT
    • 2,4-Dinitromethylbenzene
    • Toluene, 2,4-dinitro-
    • 2,4-Dinitro-1-methylbenzene
    • RCRA waste number U105
    • 4-Methyl-1,3-dinitrobenzene
    • NCI-C01865
    • NSC 7194
    • CCRIS 268
    • HSDB 1144
    • 2,4-Dinitrotoluene, practical grade
    • EINECS 204-450-0
    • CHEBI:920
    • DTXSID0020529
    • AI3-15342
    • Benzene, 1-methyl-2,4-dinitro-, sulfurized
    • NSC-7194
    • 1326-41-6
    • 6741D310ED
    • 6-Methyl-1,3-dinitrobenzene
    • DTXCID60529
    • 2,4-DINITROTOLUENE [HSDB]
    • 2,4-DINITROTOLUENE [IARC]
    • EINECS 215-422-2
    • 84029-42-5
    • DNT
    • DINITRO-1-METHYLBENZENE, 2,4-
    • 2,4-Dinitrotoluene (containing 0.5% 2,6-dinitrotoluene)
    • 2,4-Dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene)
    • 2,-Dinitrotoluene
    • Dinitrotoluol
    • 2,4-DINITROTOLUENE (IARC)
    • CAS-121-14-2
    • RCRA waste no. U105
    • UNII-6741D310ED
    • 2,4Dinitrotoluol
    • 2,4dinitrotoluene
    • EINECS 281-716-2
    • MFCD00007172
    • 2,4-dinitro-toluene
    • Benzene,methyldinitro-
    • Toluene, 2,4dinitro
    • 2,4Dinitromethylbenzene
    • UN1600 (molten)
    • 1Methyl2,4dinitrobenzene
    • 2,4Dinitro1methylbenzene
    • 4Methyl1,3dinitrobenzene
    • WLN: WNR B1 ENW
    • Benzene, 1methyl2,4dinitro
    • SCHEMBL48806
    • 2,4-Dinitrotoluene, 97%
    • 2,4DNT
    • CHEMBL259865
    • SGCUT00009
    • NSC7194
    • to_000001
    • Tox21_201784
    • Tox21_300493
    • STL199167
    • AKOS003273098
    • 2,4-Dinitrotoluene, analytical standard
    • NCGC00091755-01
    • NCGC00091755-02
    • NCGC00091755-03
    • NCGC00091755-04
    • NCGC00254317-01
    • NCGC00259333-01
    • D0856
    • NS00009261
    • EN300-19638
    • C91637
    • 2,4-Dinitrotoluene 1000 microg/mL in Methanol
    • 2,4-Dinitrotoluene 100 microg/mL in Acetonitrile
    • Q416626
    • 2,4-Dinitrotoluene, certified reference material, TraceCERT(R)
    • 204-450-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.92
    methanol 26.62
    isopropanol 11.32
    water 0.14
    ethyl acetate 238.78
    n-propanol 12.48
    acetone 487.14
    n-butanol 11.78
    acetonitrile 321.91
    DMF 820.67
    toluene 70.07
    isobutanol 9.01
    1,4-dioxane 399.7
    methyl acetate 478.67
    THF 625.26
    2-butanone 323.79
    n-pentanol 16.35
    sec-butanol 13.94
    n-hexane 1.42
    ethylene glycol 17.27
    NMP 1475.74
    cyclohexane 1.2
    DMSO 800.92
    n-butyl acetate 132.69
    n-octanol 19.95
    chloroform 185.85
    n-propyl acetate 160.61
    acetic acid 147.98
    dichloromethane 379.62
    cyclohexanone 282.91
    propylene glycol 12.66
    isopropyl acetate 122.03
    DMAc 776.54
    2-ethoxyethanol 94.49
    isopentanol 14.67
    n-heptane 3.02
    ethyl formate 132.01
    1,2-dichloroethane 272.59
    n-hexanol 24.18
    2-methoxyethanol 126.01
    isobutyl acetate 65.93
    tetrachloromethane 14.0
    n-pentyl acetate 87.2
    transcutol 541.11
    n-heptanol 16.2
    ethylbenzene 41.22
    MIBK 88.79
    2-propoxyethanol 111.99
    tert-butanol 26.06
    MTBE 66.16
    2-butoxyethanol 63.66
    propionic acid 87.47
    o-xylene 49.75
    formic acid 77.85
    diethyl ether 67.14
    m-xylene 45.92
    p-xylene 60.75
    chlorobenzene 164.52
    dimethyl carbonate 245.28
    n-octane 1.47
    formamide 259.27
    cyclopentanone 674.23
    2-pentanone 161.24
    anisole 204.77
    cyclopentyl methyl ether 143.19
    gamma-butyrolactone 1026.41
    1-methoxy-2-propanol 81.37
    pyridine 439.72
    3-pentanone 165.13
    furfural 854.12
    n-dodecane 1.99
    diethylene glycol 106.31
    diisopropyl ether 23.8
    tert-amyl alcohol 29.15
    acetylacetone 488.63
    n-hexadecane 2.54
    acetophenone 260.77
    methyl propionate 234.42
    isopentyl acetate 107.54
    trichloroethylene 782.49
    n-nonanol 21.8
    cyclohexanol 20.16
    benzyl alcohol 90.49
    2-ethylhexanol 23.25
    isooctanol 14.35
    dipropyl ether 42.11
    1,2-dichlorobenzene 169.5
    ethyl lactate 69.27
    propylene carbonate 373.71
    n-methylformamide 278.38
    2-pentanol 11.49
    n-pentane 0.97
    1-propoxy-2-propanol 68.46
    1-methoxy-2-propyl acetate 189.48
    2-(2-methoxypropoxy) propanol 135.39
    mesitylene 26.81
    ε-caprolactone 307.62
    p-cymene 28.95
    epichlorohydrin 860.49
    1,1,1-trichloroethane 196.86
    2-aminoethanol 17.7
    morpholine-4-carbaldehyde 960.82
    sulfolane 1092.56
    2,2,4-trimethylpentane 1.79
    2-methyltetrahydrofuran 312.6
    n-hexyl acetate 132.33
    isooctane 1.42
    2-(2-butoxyethoxy)ethanol 158.07
    sec-butyl acetate 94.55
    tert-butyl acetate 164.19
    decalin 4.28
    glycerin 36.25
    diglyme 368.08
    acrylic acid 151.27
    isopropyl myristate 54.3
    n-butyric acid 63.06
    acetyl acetate 278.57
    di(2-ethylhexyl) phthalate 59.45
    ethyl propionate 144.39
    nitromethane 1427.83
    1,2-diethoxyethane 165.9
    benzonitrile 185.47
    trioctyl phosphate 35.34
    1-bromopropane 53.15
    gamma-valerolactone 818.8
    n-decanol 17.67
    triethyl phosphate 68.34
    4-methyl-2-pentanol 11.13
    propionitrile 83.69
    vinylene carbonate 351.08
    1,1,2-trichlorotrifluoroethane 346.67
    DMS 294.97
    cumene 26.07
    2-octanol 12.16
    2-hexanone 144.16
    octyl acetate 72.72
    limonene 39.69
    1,2-dimethoxyethane 259.06
    ethyl orthosilicate 50.34
    tributyl phosphate 52.64
    diacetone alcohol 150.86
    N,N-dimethylaniline 100.95
    acrylonitrile 242.9
    aniline 81.08
    1,3-propanediol 24.64
    bromobenzene 175.12
    dibromomethane 141.13
    1,1,2,2-tetrachloroethane 321.54
    2-methyl-cyclohexyl acetate 98.14
    tetrabutyl urea 74.4
    diisobutyl methanol 16.6
    2-phenylethanol 93.34
    styrene 69.54
    dioctyl adipate 106.25
    dimethyl sulfate 530.39
    ethyl butyrate 101.77
    methyl lactate 113.31
    butyl lactate 56.64
    diethyl carbonate 88.34
    propanediol butyl ether 65.05
    triethyl orthoformate 67.36
    p-tert-butyltoluene 29.14
    methyl 4-tert-butylbenzoate 147.27
    morpholine 296.09
    tert-butylamine 11.36
    n-dodecanol 13.59
    dimethoxymethane 275.72
    ethylene carbonate 216.84
    cyrene 212.0
    2-ethoxyethyl acetate 226.28
    2-ethylhexyl acetate 89.15
    1,2,4-trichlorobenzene 258.04
    4-methylpyridine 354.91
    dibutyl ether 43.72
    2,6-dimethyl-4-heptanol 16.6
    DEF 256.58
    dimethyl isosorbide 357.55
    tetrachloroethylene 171.61
    eugenol 128.06
    triacetin 267.5
    span 80 88.57
    1,4-butanediol 15.3
    1,1-dichloroethane 168.96
    2-methyl-1-pentanol 20.9
    methyl formate 375.18
    2-methyl-1-butanol 13.48
    n-decane 2.76
    butyronitrile 51.95
    3,7-dimethyl-1-octanol 23.91
    1-chlorooctane 18.61
    1-chlorotetradecane 10.15
    n-nonane 2.17
    undecane 2.34
    tert-butylcyclohexane 3.61
    cyclooctane 0.77
    cyclopentanol 38.1
    tetrahydropyran 136.77
    tert-amyl methyl ether 63.06
    2,5,8-trioxanonane 287.86
    1-hexene 9.67
    2-isopropoxyethanol 69.25
    2,2,2-trifluoroethanol 113.87
    methyl butyrate 172.58

    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