Tricyclazole

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  • Identifiers

    CAS number
    41814-78-2

    Molecular formula
    C9H7N3S

    SMILES
    CC1=C2C(=CC=C1)SC3=NN=CN23

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 54.23%
    Roasted 50.76%
    Burnt 43.6%
    Nutty 39.24%
    Meaty 36.08%
    Coffee 34.39%
    Earthy 33.05%
    Floral 33.03%
    Animal 32.61%
    Musty 31.12%

     

    Flavor
    Bitter 80.51%
    Roasted 28.82%
    Coffee 25.27%
    Very strong 23.76%
    Corn 23.54%
    Indole 22.85%
    Cereal 22.54%
    Nutty 21.8%
    Bread crust 21.53%
    Soybean 21.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.23 (neutral)

    Molecular weight
    189.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 187 - 188 °C

    Boiling point

    • 275.00 °C. @ 760.00 mm Hg

    Flash point

    • 112.64 ˚C est.

    Solubility expt.

    • 1.6 mg/mL at 25 °C

  • Synonyms

    • TRICYCLAZOLE
    • 41814-78-2
    • Beam
    • Tricyclazone
    • Blascide
    • Sivic
    • Pilarblas
    • Trizole
    • Tizole
    • Blas-T
    • 2,7,8,9-Tricyclazole
    • EL-291
    • 5-Methyl-1,2,4-triazolo[3,4-b]benzothiazole
    • R7U3MEU7VR
    • 5-Methyl-1,2,4-triazolo(3,4-b)(1,3)benzothiazole
    • 5-Methyl-1,2,4-triazolo(3,4-b)benzothiazole
    • DTXSID7037478
    • CHEBI:81783
    • DTXCID5017478
    • 12-methyl-7-thia-2,4,5-triazatricyclo(6.4.0.0^(2,6))dodeca-1(12),3,5,8,10-pentaene
    • 12-methyl-7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaene
    • RefChem:899288
    • Tricyclazol
    • 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
    • Elanco 291
    • 5-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole
    • MFCD00072466
    • 5-Methyl-1,2,4-triazole(3,4-b)benzothiazole
    • 1,2,4-Triazolo(3,4-b)benzothiazole, 5-methyl-
    • s-Triazolo(3,4-b)benzothiazole, 5-methyl-
    • 1,2,4-Triazolo[3,4-b]benzothiazole, 5-methyl-
    • Tricyclazole 10 microg/mL in Cyclohexane
    • Caswell No. 884C
    • BEA
    • Tricyclazole [ANSI:BSI:ISO]
    • EINECS 255-559-5
    • UNII-R7U3MEU7VR
    • EPA Pesticide Chemical Code 120201
    • BRN 0980261
    • Tricyclozole
    • El 291
    • Tricyclazole (Standard)
    • TRICYCLAZOLE [MI]
    • TRICYCLAZOLE [ISO]
    • SCHEMBL23082
    • 5-Methyl-1,2,4-triazolo(3,4-b)benzo-1,3-thiazole
    • CHEMBL357021
    • orb1301385
    • SCHEMBL29446197
    • DQJCHOQLCLEDLL-UHFFFAOYSA-
    • HY-B0848R
    • HY-B0848
    • MSK21201
    • RBA81478
    • Tox21_302419
    • BDBM50182418
    • EBC-06320
    • AKOS006227856
    • DB02891
    • Pesticide5_Tricyclazole_C9H7N3S_Beam
    • NCGC00163820-01
    • NCGC00255465-01
    • 5-Methyl-S-Triazolo(3,4-b)benzothiazole
    • 5-methyl-striazolo-[3,4-b]benzothiazole
    • AC-12491
    • AS-14881
    • CAS-41814-78-2
    • DB-050809
    • CS-0012862
    • NS00006721
    • C18492
    • E78657
    • EN300-365964
    • Tricyclazol, PESTANAL(R), analytical standard
    • 814T782
    • 5-Methyl-1,2,4-triazolo[3,4-b]benzothiazole, 9CI
    • Q15632715
    • 5-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole #
    • Z1198150056
    • 5-Methyl-1,2,4-triazolo[3,4-b]benzothiazole; Baan; Beam; Dhanteam
    • 12-methyl-7-thia-2,4,5-triazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene
    • InChI=1/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
    • 41814-78-2

  • Applications

    Tricyclazole (CAS 41814-78-2) is used primarily in agriculture as a systemic fungicide to protect rice and other cereals from rice blast and related fungal diseases; it acts by inhibiting melanin biosynthesis in fungi, reducing pathogen growth and spread; it is commonly formulated for foliar applications and is often included in integrated disease-management programs; formulations are applied at field scale and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.76
    methanol 9.96
    isopropanol 6.36
    water 0.29
    ethyl acetate 25.56
    n-propanol 8.74
    acetone 40.6
    n-butanol 8.97
    acetonitrile 15.37
    DMF 104.74
    toluene 15.12
    isobutanol 8.22
    1,4-dioxane 54.98
    methyl acetate 32.26
    THF 81.81
    2-butanone 31.77
    n-pentanol 11.0
    sec-butanol 6.92
    n-hexane 0.81
    ethylene glycol 7.97
    NMP 111.77
    cyclohexane 0.88
    DMSO 80.42
    n-butyl acetate 28.33
    n-octanol 10.81
    chloroform 46.34
    n-propyl acetate 24.76
    acetic acid 15.39
    dichloromethane 59.04
    cyclohexanone 47.67
    propylene glycol 4.99
    isopropyl acetate 20.05
    DMAc 85.25
    2-ethoxyethanol 30.01
    isopentanol 10.92
    n-heptane 1.83
    ethyl formate 21.03
    1,2-dichloroethane 45.82
    n-hexanol 16.22
    2-methoxyethanol 39.38
    isobutyl acetate 22.7
    tetrachloromethane 8.5
    n-pentyl acetate 25.9
    transcutol 51.51
    n-heptanol 12.64
    ethylbenzene 10.44
    MIBK 25.48
    2-propoxyethanol 42.4
    tert-butanol 10.54
    MTBE 13.46
    2-butoxyethanol 28.35
    propionic acid 13.51
    o-xylene 11.92
    formic acid 9.13
    diethyl ether 15.14
    m-xylene 14.55
    p-xylene 15.72
    chlorobenzene 31.49
    dimethyl carbonate 32.29
    n-octane 1.31
    formamide 17.59
    cyclopentanone 73.98
    2-pentanone 28.7
    anisole 28.98
    cyclopentyl methyl ether 32.67
    gamma-butyrolactone 79.58
    1-methoxy-2-propanol 28.48
    pyridine 42.66
    3-pentanone 26.23
    furfural 86.68
    n-dodecane 1.65
    diethylene glycol 41.86
    diisopropyl ether 7.45
    tert-amyl alcohol 10.51
    acetylacetone 49.26
    n-hexadecane 1.94
    acetophenone 36.54
    methyl propionate 30.9
    isopentyl acetate 30.59
    trichloroethylene 82.25
    n-nonanol 11.54
    cyclohexanol 11.71
    benzyl alcohol 26.42
    2-ethylhexanol 14.73
    isooctanol 12.09
    dipropyl ether 15.48
    1,2-dichlorobenzene 34.27
    ethyl lactate 19.72
    propylene carbonate 45.63
    n-methylformamide 31.67
    2-pentanol 7.17
    n-pentane 0.75
    1-propoxy-2-propanol 29.52
    1-methoxy-2-propyl acetate 38.46
    2-(2-methoxypropoxy) propanol 33.06
    mesitylene 10.12
    ε-caprolactone 43.76
    p-cymene 13.5
    epichlorohydrin 90.59
    1,1,1-trichloroethane 31.58
    2-aminoethanol 9.24
    morpholine-4-carbaldehyde 100.03
    sulfolane 98.85
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 41.9
    n-hexyl acetate 26.79
    isooctane 1.11
    2-(2-butoxyethoxy)ethanol 34.65
    sec-butyl acetate 19.32
    tert-butyl acetate 25.02
    decalin 2.26
    glycerin 13.94
    diglyme 61.44
    acrylic acid 17.78
    isopropyl myristate 15.4
    n-butyric acid 17.48
    acetyl acetate 22.99
    di(2-ethylhexyl) phthalate 21.2
    ethyl propionate 23.85
    nitromethane 49.64
    1,2-diethoxyethane 26.63
    benzonitrile 32.88
    trioctyl phosphate 14.76
    1-bromopropane 16.94
    gamma-valerolactone 94.11
    n-decanol 9.97
    triethyl phosphate 19.69
    4-methyl-2-pentanol 7.94
    propionitrile 15.9
    vinylene carbonate 47.23
    1,1,2-trichlorotrifluoroethane 52.62
    DMS 35.2
    cumene 10.5
    2-octanol 9.46
    2-hexanone 27.47
    octyl acetate 18.93
    limonene 15.06
    1,2-dimethoxyethane 52.48
    ethyl orthosilicate 18.28
    tributyl phosphate 16.58
    diacetone alcohol 31.0
    N,N-dimethylaniline 24.08
    acrylonitrile 24.89
    aniline 20.7
    1,3-propanediol 13.48
    bromobenzene 32.39
    dibromomethane 32.27
    1,1,2,2-tetrachloroethane 53.71
    2-methyl-cyclohexyl acetate 27.51
    tetrabutyl urea 23.67
    diisobutyl methanol 10.55
    2-phenylethanol 32.65
    styrene 12.56
    dioctyl adipate 20.93
    dimethyl sulfate 63.74
    ethyl butyrate 22.79
    methyl lactate 23.56
    butyl lactate 21.81
    diethyl carbonate 19.05
    propanediol butyl ether 21.13
    triethyl orthoformate 20.3
    p-tert-butyltoluene 12.93
    methyl 4-tert-butylbenzoate 34.5
    morpholine 42.5
    tert-butylamine 6.37
    n-dodecanol 8.54
    dimethoxymethane 62.81
    ethylene carbonate 35.37
    cyrene 50.39
    2-ethoxyethyl acetate 40.38
    2-ethylhexyl acetate 26.68
    1,2,4-trichlorobenzene 41.23
    4-methylpyridine 39.31
    dibutyl ether 12.42
    2,6-dimethyl-4-heptanol 10.55
    DEF 36.98
    dimethyl isosorbide 63.7
    tetrachloroethylene 35.58
    eugenol 39.68
    triacetin 31.3
    span 80 25.2
    1,4-butanediol 9.96
    1,1-dichloroethane 27.56
    2-methyl-1-pentanol 13.67
    methyl formate 37.61
    2-methyl-1-butanol 9.98
    n-decane 2.1
    butyronitrile 15.59
    3,7-dimethyl-1-octanol 11.84
    1-chlorooctane 8.94
    1-chlorotetradecane 5.58
    n-nonane 1.66
    undecane 1.86
    tert-butylcyclohexane 2.35
    cyclooctane 0.69
    cyclopentanol 15.67
    tetrahydropyran 28.69
    tert-amyl methyl ether 14.1
    2,5,8-trioxanonane 49.96
    1-hexene 4.32
    2-isopropoxyethanol 24.86
    2,2,2-trifluoroethanol 16.85
    methyl butyrate 28.42

    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