Dithianon

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  • Identifiers

    CAS number
    3347-22-6

    Molecular formula
    C14H4N2O2S2

    SMILES
    C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 42.99%
    Burnt 31.06%
    Sulfurous 30.95%
    Meaty 26.98%
    Roasted 25.4%
    Bitter 25.36%
    Cooked 23.68%
    Savory 20.99%
    Pungent 17.64%
    Nutty 17.1%

     

    Flavor
    Bitter 93.97%
    Odorless 27.99%
    Nitrile 19.54%
    Very strong 18.03%
    Bread crust 17.48%
    Indole 17.39%
    Taco 17.37%
    Rotten 17.18%
    Cedarleaf 16.84%
    Roasted peanuts 16.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.82 (weak acid)

    Molecular weight
    296.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    699°C

    Melting point expt.

    • 220 °C
    • 225 °C

    Flash point

    • 270.73 ˚C est.
    • Ignition temperature >300 °C

    Solubility expt.

    • Sol in dioxane, chlorobenzene
    • Soluble in acetone
    • Solubility = 12 g/L in chloroform, 10 g/L in acetone, and 8 g/L in benzene at 20 °C; Sparingly soluble in methanol and dichloromethane
    • In water, 0.14 mg/L at 20 °C
    • 0.14 mg/L @ 20 °C (exp)

  • Synonyms

    • DITHIANON
    • 3347-22-6
    • Dithianone
    • Delan
    • Merkdelan
    • Thynon
    • Delan-col
    • Delan WP
    • Stauffer MV-119A
    • Delan (fungicide)
    • Caswell No. 349B
    • Dithianon [BSI:ISO]
    • 1,4-Dithiaanthraquinone-2,3-dinitrile
    • 1,4-Dithiaanthraquinone-2,3-dicarbonitrile
    • MV 119A
    • 2,3-Dinitrilo-1,4-dithia-anthraquinone
    • 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile
    • 2,3-Dinitrilo-1,4-dithia-9,10-anthraquinone
    • IT 931
    • 2,3-Dicarbonitrilo-1,4-diathiaanthrachinon
    • 2,3-Dinitrilo-1,4-dithioanthrachinon
    • Dithianon [ISO]
    • 2,3-Dicyano-1,4-dithia-anthraquinone
    • 2,3-Dicyano-1,4-dithiaanthraquinone
    • NSC 218452
    • HSDB 1583
    • UNII-3ESS44NI1F
    • EINECS 222-098-6
    • 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
    • EPA Pesticide Chemical Code 099201
    • 2,3-Dinitrilo-1,4-dithiaanthraquinone
    • BRN 1325563
    • CADOL
    • DTXSID8040270
    • CHEBI:81842
    • AI3-28720
    • DITHIANON [MI]
    • DITHIANON [HSDB]
    • 2,3-Dinitrilo-1,4-dithioanthrachinon [German]
    • NSC-218452
    • 5,10-Dihydro-5,10-dioxonaphtho(2,3-b)-p-dithiin-2,3-dicarbonitrile
    • 3ESS44NI1F
    • 2,3-Dicarbonitrilo-1,4-diathiaanthrachinon [German]
    • Naphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • DTXCID6020270
    • MV-119A
    • 5-19-08-00189 (Beilstein Handbook Reference)
    • Naphtho(2,3-b)-p-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • Naphtho(2,3-b)-1,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • IT-931
    • 5,10-Dihydro-5,10-dioxonaphtho(2,3-b)-1,4-dithiin-2,3-dicarbonitrile
    • Naphtho[2,3-b]-p-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • 5,10-dioxo-5H,10H-naphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile
    • 5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile
    • 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin-2,3-dicarbonitrile
    • 5,10-DIHYDRO-5,10-DIOXONAPHTHO(2,3-B)-1,4-DITHIINE-2,3-DICARBONITRILE
    • Dithiaanthraquinone-2,3-dinitrile
    • 2,3-DINITRILO-1,4-DITHIOANTHRACHINON (GERMAN)
    • Delancol
    • 2,3-DICARBONITRILO-1,4-DIATHIAANTHRACHINON (GERMAN)
    • 5,10-dioxo-5,10-dihydronaphtho(2,3-b)(1,4)dithiin-2,3-dicarbonitrile
    • 5,10-dioxo-5H,10H-naphtho(2,3-b)(1,4)dithiine-2,3-dicarbonitrile
    • 1,3-dinitrile
    • Stauffer MV119A
    • MFCD00055492
    • DITHIONONE
    • 2,4-dithioanthrachinon
    • 2,4-diathiaanthrachinon
    • 2,4-dithiaanthraquinone
    • SCHEMBL20978
    • CHEMBL2228641
    • 2,3Dicyano1,4dithiaanthraquinone
    • 2,3Dinitrilo1,4dithioanthrachinon
    • GLXC-25869
    • 1,4Dithiaanthraquinone2,3dinitrile
    • 2,3Dinitrilo1,4dithiaanthraquinone
    • HY-B1975
    • Tox21_302405
    • BBL010985
    • NSC218452
    • STK802107
    • AKOS004119899
    • 2,3-Dicyano-1, 4-dithiaanthraquinone
    • KS-5359
    • 1,4Dithiaanthraquinone2,3dicarbonitrile
    • 2,3Dicarbonitrilo1,4diathiaanthrachinon
    • USEPA/OPP Pesticide Code: 099201
    • 1, 4-Dithiaanthraquinone-2,3-dinitrile
    • 2,3Dinitrilo1,4dithia9,10anthraquinone
    • NCGC00255557-01
    • CAS-3347-22-6
    • DB-048417
    • CS-0014074
    • NS00008842
    • WLN: T C666 BV DS GS IVJ ECN FCN
    • Dithianon, PESTANAL(R), analytical standard
    • C18574
    • 2, 3-Dinitrilo-1,4-dithioanthrachinon (GERMAN)
    • Q1230269
    • 2,3-Dicarbonitrilo-1, 4-diathiaanthrachinon (GERMAN)
    • 5,10-dioxonaphtho[2,3-b]-p-dithiin-2,3-dicarbonitrile
    • Naphtho[2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • 5,10Dihydro5,10dioxonaphtho(2,3b)pdithiin2,3dicarbonitrile
    • Naphtho(2,3b)pdithiin2,3dicarbonitrile, 5,10dihydro5,10dioxo
    • Naphtho(2,3b)1,4dithiin2,3dicarbonitrile, 5,10dihydro5,10dioxo
    • Naphtho[2,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
    • 5,10-Dihydro-5,10-dioxonaphtho-(2,3-b)-1,4-dithiin-2,3-dicarbonitrile
    • 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile #
    • 5,10-Dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile, 9CI
    • 5,10-DIHYDROXY-5,10-DIOXONAPHTHO-(2,3,B)-P-DITHIIN-2,3-DICARBONITRILE
    • 222-098-6

  • Applications

    Dithianon (CAS 3347-22-6) is used as a fungicidal active ingredient in agriculture and horticulture to protect crops from fungal diseases. It is commonly applied as protective spray treatments on fruits, vegetables, and ornamental plants in both greenhouse and field settings, often as part of integrated pest management programs. As a contact fungicide in the dithiocarbamate class, it provides disease control for a range of crops.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.19
    methanol 0.26
    isopropanol 0.09
    water 0.03
    ethyl acetate 1.17
    n-propanol 0.11
    acetone 1.09
    n-butanol 0.08
    acetonitrile 1.09
    DMF 10.92
    toluene 0.38
    isobutanol 0.09
    1,4-dioxane 1.81
    methyl acetate 1.64
    THF 2.39
    2-butanone 0.96
    n-pentanol 0.13
    sec-butanol 0.08
    n-hexane 0.03
    ethylene glycol 0.54
    NMP 13.94
    cyclohexane 0.05
    DMSO 4.94
    n-butyl acetate 3.01
    n-octanol 0.54
    chloroform 1.24
    n-propyl acetate 1.68
    acetic acid 1.37
    dichloromethane 1.61
    cyclohexanone 2.36
    propylene glycol 0.14
    isopropyl acetate 1.24
    DMAc 12.94
    2-ethoxyethanol 0.97
    isopentanol 0.11
    n-heptane 0.08
    ethyl formate 1.2
    1,2-dichloroethane 1.57
    n-hexanol 0.38
    2-methoxyethanol 1.4
    isobutyl acetate 1.16
    tetrachloromethane 0.39
    n-pentyl acetate 2.7
    transcutol 6.15
    n-heptanol 0.58
    ethylbenzene 0.48
    MIBK 0.79
    2-propoxyethanol 2.69
    tert-butanol 0.15
    MTBE 0.18
    2-butoxyethanol 2.38
    propionic acid 0.73
    o-xylene 0.5
    formic acid 1.73
    diethyl ether 0.29
    m-xylene 0.41
    p-xylene 0.71
    chlorobenzene 1.06
    dimethyl carbonate 3.66
    n-octane 0.08
    formamide 4.12
    cyclopentanone 3.44
    2-pentanone 0.76
    anisole 1.26
    cyclopentyl methyl ether 0.9
    gamma-butyrolactone 6.06
    1-methoxy-2-propanol 0.9
    pyridine 2.78
    3-pentanone 1.05
    furfural 9.52
    n-dodecane 0.09
    diethylene glycol 3.76
    diisopropyl ether 0.2
    tert-amyl alcohol 0.14
    acetylacetone 3.28
    n-hexadecane 0.11
    acetophenone 3.15
    methyl propionate 1.59
    isopentyl acetate 2.68
    trichloroethylene 3.99
    n-nonanol 0.66
    cyclohexanol 0.2
    benzyl alcohol 1.03
    2-ethylhexanol 0.58
    isooctanol 0.51
    dipropyl ether 0.88
    1,2-dichlorobenzene 1.86
    ethyl lactate 1.87
    propylene carbonate 4.21
    n-methylformamide 2.79
    2-pentanol 0.07
    n-pentane 0.02
    1-propoxy-2-propanol 2.07
    1-methoxy-2-propyl acetate 4.96
    2-(2-methoxypropoxy) propanol 3.84
    mesitylene 0.4
    ε-caprolactone 2.89
    p-cymene 0.99
    epichlorohydrin 4.08
    1,1,1-trichloroethane 0.99
    2-aminoethanol 0.38
    morpholine-4-carbaldehyde 12.68
    sulfolane 8.25
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.85
    n-hexyl acetate 2.51
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 3.67
    sec-butyl acetate 1.19
    tert-butyl acetate 1.55
    decalin 0.07
    glycerin 0.79
    diglyme 8.15
    acrylic acid 1.7
    isopropyl myristate 1.62
    n-butyric acid 0.61
    acetyl acetate 2.36
    di(2-ethylhexyl) phthalate 2.28
    ethyl propionate 1.79
    nitromethane 5.31
    1,2-diethoxyethane 2.84
    benzonitrile 2.76
    trioctyl phosphate 1.64
    1-bromopropane 0.31
    gamma-valerolactone 6.68
    n-decanol 0.57
    triethyl phosphate 2.8
    4-methyl-2-pentanol 0.1
    propionitrile 0.69
    vinylene carbonate 5.6
    1,1,2-trichlorotrifluoroethane 7.52
    DMS 6.09
    cumene 0.45
    2-octanol 0.4
    2-hexanone 1.23
    octyl acetate 1.83
    limonene 0.93
    1,2-dimethoxyethane 3.06
    ethyl orthosilicate 2.24
    tributyl phosphate 2.14
    diacetone alcohol 1.71
    N,N-dimethylaniline 1.58
    acrylonitrile 1.99
    aniline 0.72
    1,3-propanediol 0.34
    bromobenzene 0.93
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 2.56
    2-methyl-cyclohexyl acetate 2.83
    tetrabutyl urea 3.93
    diisobutyl methanol 0.48
    2-phenylethanol 2.3
    styrene 0.54
    dioctyl adipate 2.52
    dimethyl sulfate 8.47
    ethyl butyrate 2.39
    methyl lactate 2.27
    butyl lactate 2.99
    diethyl carbonate 2.66
    propanediol butyl ether 1.62
    triethyl orthoformate 2.38
    p-tert-butyltoluene 0.82
    methyl 4-tert-butylbenzoate 4.39
    morpholine 1.64
    tert-butylamine 0.09
    n-dodecanol 0.51
    dimethoxymethane 3.24
    ethylene carbonate 3.65
    cyrene 4.63
    2-ethoxyethyl acetate 4.73
    2-ethylhexyl acetate 2.48
    1,2,4-trichlorobenzene 2.46
    4-methylpyridine 1.93
    dibutyl ether 1.06
    2,6-dimethyl-4-heptanol 0.48
    DEF 2.9
    dimethyl isosorbide 10.1
    tetrachloroethylene 2.67
    eugenol 5.61
    triacetin 4.93
    span 80 2.83
    1,4-butanediol 0.25
    1,1-dichloroethane 0.53
    2-methyl-1-pentanol 0.17
    methyl formate 2.79
    2-methyl-1-butanol 0.09
    n-decane 0.12
    butyronitrile 0.44
    3,7-dimethyl-1-octanol 0.57
    1-chlorooctane 0.52
    1-chlorotetradecane 0.34
    n-nonane 0.1
    undecane 0.1
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 0.3
    tetrahydropyran 0.56
    tert-amyl methyl ether 0.25
    2,5,8-trioxanonane 6.83
    1-hexene 0.11
    2-isopropoxyethanol 0.82
    2,2,2-trifluoroethanol 2.51
    methyl butyrate 2.02

    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