2,3-Dinitrotoluene

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  • Identifiers

    CAS number
    602-01-7

    Molecular formula
    C7H6N2O4

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 57.6%
    Fatty 40.12%
    Powdery 38.93%
    Odorless 36.75%
    Floral 35.18%
    Musk 34.75%
    Honey 30.41%
    Dry 29.09%
    Creamy 28.13%
    Vanilla 24.77%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    182.13 g/mol

    Melting point expt.

    • 158 °F (NTP, 1992)
    • 63 °C
    • 54-71 °C
    • 59-61 °C
    • 158 °F

    Boiling point

    • 482 °F at 760 mmHg (NTP, 1992)
    • 250 °C
    • 572 °F

    Flash point est.
    145.95 ˚C

    Flash point expt.

    • 404 °F (NIOSH, 2024)
    • 404 °F (Closed cup)
    • 207 °C c.c.
    • 404 °F

    Solubility expt.

    • Very slightly soluble (NTP, 1992)
    • Soluble in alcohol and ether; very soluble in acetone
    • In water, 2.70X10+2 mg/L at 22 °C
    • Soluble in ethanol, ether; slightly soluble in chloroform
    • In water, 161 mg/L at 25 °C
    • Solubility in water: very poor
    • Solubility in water: very poor
    • Insoluble

  • Synonyms

    • 2,3-DINITROTOLUENE
    • 602-01-7
    • 1-Methyl-2,3-dinitrobenzene
    • 2,3-Dinitrotoluol
    • Toluene, 2,3-dinitro-
    • Benzene, 1-methyl-2,3-dinitro-
    • 2,3-DNT
    • 25321-14-6
    • 2 3-Dinitrotoluene
    • CCRIS 2837
    • HSDB 5499
    • EINECS 210-013-5
    • UNII-BS660NHC83
    • BRN 2212428
    • BS660NHC83
    • DTXSID4027236
    • DINITROTOLUENE, 2,3-
    • DTXCID407236
    • 1-Methyl-2,3-dinitro-benzene
    • CHEBI:142287
    • 2,3-DINITROTOLUENE [HSDB]
    • 4-05-00-00865 (Beilstein Handbook Reference)
    • NCGC00091205-03
    • dinitro-toluene
    • Methyl Dinitrobenzene
    • 2,3-Dinitrotoluene, 99%
    • SCHEMBL146895
    • SCHEMBL9850022
    • CHEMBL1531586
    • BCP26765
    • Tox21_400034
    • MFCD00007178
    • AKOS015888983
    • AKOS015950739
    • 2,3-Dinitrotoluene, analytical standard
    • NCGC00091205-01
    • NCGC00091205-02
    • NCGC00091205-04
    • CAS-602-01-7
    • SY032868
    • DB-053553
    • CS-0231886
    • NS00008195
    • A15676
    • EN300-125728
    • G31249
    • Q13427537
    • F9994-0667
    • 1-Methyl-2,3-dinitrobenzene; Toluene, 2,3-dinitro- (8CI); 1-Methyl-2,3-dinitrobenzene; 2,3-DNT; 2,3-Dinitrotoluene; 2,3-Dinitrotoluol
    • 210-013-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.84
    methanol 31.46
    isopropanol 17.32
    water 0.08
    ethyl acetate 156.15
    n-propanol 19.98
    acetone 259.92
    n-butanol 20.48
    acetonitrile 164.79
    DMF 449.23
    toluene 42.74
    isobutanol 12.94
    1,4-dioxane 235.04
    methyl acetate 233.51
    THF 451.51
    2-butanone 197.89
    n-pentanol 20.0
    sec-butanol 21.92
    n-hexane 3.55
    ethylene glycol 13.71
    NMP 232.54
    cyclohexane 5.35
    DMSO 424.9
    n-butyl acetate 70.69
    n-octanol 22.09
    chloroform 95.9
    n-propyl acetate 68.33
    acetic acid 30.11
    dichloromethane 151.45
    cyclohexanone 136.19
    propylene glycol 8.96
    isopropyl acetate 70.32
    DMAc 306.81
    2-ethoxyethanol 79.62
    isopentanol 22.62
    n-heptane 3.7
    ethyl formate 77.86
    1,2-dichloroethane 172.55
    n-hexanol 27.14
    2-methoxyethanol 134.24
    isobutyl acetate 30.53
    tetrachloromethane 12.17
    n-pentyl acetate 48.0
    transcutol 322.28
    n-heptanol 16.86
    ethylbenzene 26.22
    MIBK 71.25
    2-propoxyethanol 98.29
    tert-butanol 38.12
    MTBE 59.29
    2-butoxyethanol 51.17
    propionic acid 27.88
    o-xylene 29.2
    formic acid 21.58
    diethyl ether 76.31
    m-xylene 30.12
    p-xylene 30.42
    chlorobenzene 62.58
    dimethyl carbonate 114.04
    n-octane 2.85
    formamide 70.84
    cyclopentanone 263.19
    2-pentanone 123.44
    anisole 99.28
    cyclopentyl methyl ether 88.56
    gamma-butyrolactone 273.44
    1-methoxy-2-propanol 81.56
    pyridine 149.53
    3-pentanone 115.5
    furfural 254.42
    n-dodecane 3.41
    diethylene glycol 94.06
    diisopropyl ether 22.03
    tert-amyl alcohol 36.61
    acetylacetone 261.46
    n-hexadecane 4.12
    acetophenone 89.12
    methyl propionate 135.07
    isopentyl acetate 58.76
    trichloroethylene 278.75
    n-nonanol 22.53
    cyclohexanol 21.0
    benzyl alcohol 42.98
    2-ethylhexanol 21.03
    isooctanol 14.48
    dipropyl ether 33.42
    1,2-dichlorobenzene 69.92
    ethyl lactate 38.27
    propylene carbonate 103.04
    n-methylformamide 128.35
    2-pentanol 16.79
    n-pentane 2.53
    1-propoxy-2-propanol 57.37
    1-methoxy-2-propyl acetate 103.67
    2-(2-methoxypropoxy) propanol 98.14
    mesitylene 21.56
    ε-caprolactone 107.7
    p-cymene 19.78
    epichlorohydrin 409.39
    1,1,1-trichloroethane 106.11
    2-aminoethanol 16.51
    morpholine-4-carbaldehyde 278.56
    sulfolane 290.24
    2,2,4-trimethylpentane 2.56
    2-methyltetrahydrofuran 158.84
    n-hexyl acetate 76.69
    isooctane 2.26
    2-(2-butoxyethoxy)ethanol 114.16
    sec-butyl acetate 43.29
    tert-butyl acetate 92.09
    decalin 5.64
    glycerin 22.93
    diglyme 243.24
    acrylic acid 33.37
    isopropyl myristate 38.69
    n-butyric acid 35.29
    acetyl acetate 112.75
    di(2-ethylhexyl) phthalate 33.01
    ethyl propionate 84.28
    nitromethane 387.96
    1,2-diethoxyethane 109.19
    benzonitrile 72.59
    trioctyl phosphate 24.99
    1-bromopropane 53.28
    gamma-valerolactone 272.97
    n-decanol 18.51
    triethyl phosphate 40.85
    4-methyl-2-pentanol 13.49
    propionitrile 70.39
    vinylene carbonate 96.78
    1,1,2-trichlorotrifluoroethane 139.65
    DMS 116.85
    cumene 17.37
    2-octanol 13.56
    2-hexanone 80.24
    octyl acetate 48.14
    limonene 25.29
    1,2-dimethoxyethane 241.64
    ethyl orthosilicate 33.76
    tributyl phosphate 33.74
    diacetone alcohol 109.29
    N,N-dimethylaniline 54.59
    acrylonitrile 133.28
    aniline 39.88
    1,3-propanediol 28.52
    bromobenzene 73.23
    dibromomethane 82.42
    1,1,2,2-tetrachloroethane 174.5
    2-methyl-cyclohexyl acetate 48.4
    tetrabutyl urea 51.67
    diisobutyl methanol 16.67
    2-phenylethanol 53.0
    styrene 32.68
    dioctyl adipate 55.33
    dimethyl sulfate 195.77
    ethyl butyrate 54.38
    methyl lactate 61.99
    butyl lactate 36.04
    diethyl carbonate 46.09
    propanediol butyl ether 45.93
    triethyl orthoformate 38.93
    p-tert-butyltoluene 20.96
    methyl 4-tert-butylbenzoate 83.49
    morpholine 184.09
    tert-butylamine 16.9
    n-dodecanol 15.43
    dimethoxymethane 272.96
    ethylene carbonate 73.1
    cyrene 84.84
    2-ethoxyethyl acetate 93.25
    2-ethylhexyl acetate 48.31
    1,2,4-trichlorobenzene 84.95
    4-methylpyridine 118.29
    dibutyl ether 40.25
    2,6-dimethyl-4-heptanol 16.67
    DEF 144.4
    dimethyl isosorbide 186.33
    tetrachloroethylene 96.2
    eugenol 82.21
    triacetin 87.92
    span 80 51.0
    1,4-butanediol 15.51
    1,1-dichloroethane 89.4
    2-methyl-1-pentanol 23.54
    methyl formate 161.21
    2-methyl-1-butanol 19.44
    n-decane 4.64
    butyronitrile 54.96
    3,7-dimethyl-1-octanol 26.65
    1-chlorooctane 21.84
    1-chlorotetradecane 12.08
    n-nonane 3.95
    undecane 3.97
    tert-butylcyclohexane 4.64
    cyclooctane 2.8
    cyclopentanol 26.29
    tetrahydropyran 105.34
    tert-amyl methyl ether 58.67
    2,5,8-trioxanonane 192.21
    1-hexene 13.95
    2-isopropoxyethanol 53.5
    2,2,2-trifluoroethanol 26.26
    methyl butyrate 92.01

    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