Isopyrazam

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  • Identifiers

    CAS number
    881685-58-1

    Molecular formula
    C20H23F2N3O

    SMILES
    CC(C)C1C2CCC1C3=C2C=CC=C3NC(=O)C4=CN(N=C4C(F)F)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 60.87%
    Cooling 35.57%
    Savory 27.63%
    Animal 24.48%
    Mint 21.5%
    Milky 20.71%
    Cooked 19.27%
    Bitter 18.59%
    Roasted 18.09%
    Meaty 18.05%

     

    Flavor
    Bitter 82.87%
    Odorless 36.88%
    Bland 27.15%
    Cedarleaf 20.34%
    Sweet-like 20.18%
    Nitrile 19.68%
    Mild 19.09%
    Indole 18.68%
    Very strong 18.68%
    Heather 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.15 (neutral)

    Molecular weight
    359.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    620°C

    Flash point

    • 188.69 ˚C est.

  • Synonyms

    • Isopyrazam
    • 881685-58-1
    • DTXSID7058208
    • F098T24Q5Q
    • 3-(difluoromethyl)-1-methyl-N-(1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl)-1H-pyrazole-4-carboxamide
    • BONTIMA
    • REFLECT
    • SEGURIS FLEXI
    • RefChem:792273
    • DTXCID0031976
    • CHEBI:83126
    • SYN520453
    • 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
    • 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methyl-1H-pyrazole-4-carboxamide
    • Isopyrazam 100 microg/mL in Acetonitrile
    • 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide
    • Isopyrazam [ISO]
    • UNII-F098T24Q5Q
    • SCHEMBL162518
    • SCHEMBL437176
    • orb2695311
    • orb2695316
    • orb3025430
    • Isopyrazam (mixture of isomers)
    • C20H23F2N3O
    • CHEBI:83128
    • GKB68558
    • MSK21082
    • MFCD16652538
    • CS-0853589
    • NS00040576
    • Q27156655
    • 1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide
    • 1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-N-[1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-
    • 3-(difluoromethyl)-1-methyl-n-[1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methano-naphthalen-5-yl]-1h-pyrazole-4-carboxamide
    • 3-(difluoromethyl)-1-methyl-N-[11-(propan-2-yl)tricyclo[6.2.1.0(2),]undeca-2(7),3,5-trien-3-yl]-1H-pyrazole-4-carboxamide
    • 3-(difluoromethyl)-1-methyl-N-[11-(propan-2-yl)tricyclo[6.2.1.0,undeca-2(7),3,5-trien-3-yl]-1H-pyrazole-4-carboxamide
    • 3-(Difluoromethyl)-1-methyl-N-[9-(propan-2-yl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide
    • 3-(difluoromethyl)-N-(11-isopropyl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-1-methyl-pyrazole-4-carboxamide
    • 3-difluoromethyl-1-methyl-1h-pyrazole-4-carboxylic acid (9-isopropyl-1,2,3,4-tetrahydro-1,4-methano-naphthalen-5-yl)-amide
    • N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide
    • 881685-58-1

  • Applications

    Isopyrazam (CAS 881685-58-1) is a systemic fungicide used in crop protection to control fungal diseases in agriculture; it is commonly applied as foliar sprays or soil drenches and can also be used as a seed treatment; it covers a range of crops including cereals, fruits, and vegetables; it is often incorporated into tank mixes with other fungicides within integrated pest management programs; and it is formulated for professional agricultural use under local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.22
    methanol 75.27
    isopropanol 46.04
    water 0.13
    ethyl acetate 53.72
    n-propanol 55.62
    acetone 103.6
    n-butanol 52.06
    acetonitrile 45.31
    DMF 87.57
    toluene 23.61
    isobutanol 41.12
    1,4-dioxane 63.24
    methyl acetate 57.18
    THF 180.92
    2-butanone 100.94
    n-pentanol 29.05
    sec-butanol 34.92
    n-hexane 0.48
    ethylene glycol 14.12
    NMP 79.87
    cyclohexane 1.03
    DMSO 73.41
    n-butyl acetate 31.54
    n-octanol 6.39
    chloroform 190.82
    n-propyl acetate 32.78
    acetic acid 104.48
    dichloromethane 166.27
    cyclohexanone 108.31
    propylene glycol 17.59
    isopropyl acetate 36.96
    DMAc 131.09
    2-ethoxyethanol 66.92
    isopentanol 44.59
    n-heptane 0.44
    ethyl formate 36.24
    1,2-dichloroethane 89.47
    n-hexanol 23.33
    2-methoxyethanol 123.01
    isobutyl acetate 25.2
    tetrachloromethane 15.58
    n-pentyl acetate 24.49
    transcutol 91.13
    n-heptanol 12.74
    ethylbenzene 7.71
    MIBK 39.15
    2-propoxyethanol 73.46
    tert-butanol 36.03
    MTBE 21.96
    2-butoxyethanol 44.11
    propionic acid 38.67
    o-xylene 10.77
    formic acid 48.07
    diethyl ether 27.68
    m-xylene 14.52
    p-xylene 11.55
    chlorobenzene 33.56
    dimethyl carbonate 32.88
    n-octane 0.26
    formamide 73.66
    cyclopentanone 121.45
    2-pentanone 68.09
    anisole 21.11
    cyclopentyl methyl ether 35.8
    gamma-butyrolactone 103.19
    1-methoxy-2-propanol 77.54
    pyridine 78.35
    3-pentanone 46.48
    furfural 88.92
    n-dodecane 0.26
    diethylene glycol 65.95
    diisopropyl ether 5.87
    tert-amyl alcohol 28.32
    acetylacetone 74.59
    n-hexadecane 0.31
    acetophenone 31.41
    methyl propionate 48.15
    isopentyl acetate 33.08
    trichloroethylene 191.39
    n-nonanol 7.31
    cyclohexanol 28.43
    benzyl alcohol 34.15
    2-ethylhexanol 11.36
    isooctanol 11.68
    dipropyl ether 7.95
    1,2-dichlorobenzene 27.97
    ethyl lactate 24.76
    propylene carbonate 52.51
    n-methylformamide 63.36
    2-pentanol 23.32
    n-pentane 0.75
    1-propoxy-2-propanol 38.75
    1-methoxy-2-propyl acetate 49.64
    2-(2-methoxypropoxy) propanol 33.14
    mesitylene 6.73
    ε-caprolactone 72.38
    p-cymene 5.96
    epichlorohydrin 181.56
    1,1,1-trichloroethane 65.92
    2-aminoethanol 35.18
    morpholine-4-carbaldehyde 84.94
    sulfolane 88.34
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 69.15
    n-hexyl acetate 21.41
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 41.67
    sec-butyl acetate 23.32
    tert-butyl acetate 32.18
    decalin 0.69
    glycerin 32.74
    diglyme 73.74
    acrylic acid 41.27
    isopropyl myristate 8.02
    n-butyric acid 70.66
    acetyl acetate 41.66
    di(2-ethylhexyl) phthalate 15.59
    ethyl propionate 25.25
    nitromethane 129.73
    1,2-diethoxyethane 27.43
    benzonitrile 35.06
    trioctyl phosphate 9.61
    1-bromopropane 33.37
    gamma-valerolactone 157.69
    n-decanol 5.3
    triethyl phosphate 12.06
    4-methyl-2-pentanol 16.07
    propionitrile 40.8
    vinylene carbonate 54.26
    1,1,2-trichlorotrifluoroethane 124.93
    DMS 28.22
    cumene 5.65
    2-octanol 6.95
    2-hexanone 36.26
    octyl acetate 11.28
    limonene 7.03
    1,2-dimethoxyethane 64.96
    ethyl orthosilicate 11.73
    tributyl phosphate 10.56
    diacetone alcohol 50.77
    N,N-dimethylaniline 13.5
    acrylonitrile 53.3
    aniline 39.47
    1,3-propanediol 64.22
    bromobenzene 29.53
    dibromomethane 88.29
    1,1,2,2-tetrachloroethane 125.06
    2-methyl-cyclohexyl acetate 21.11
    tetrabutyl urea 14.83
    diisobutyl methanol 6.99
    2-phenylethanol 34.94
    styrene 9.25
    dioctyl adipate 14.21
    dimethyl sulfate 44.58
    ethyl butyrate 19.5
    methyl lactate 38.1
    butyl lactate 25.27
    diethyl carbonate 14.52
    propanediol butyl ether 27.14
    triethyl orthoformate 14.87
    p-tert-butyltoluene 5.47
    methyl 4-tert-butylbenzoate 29.63
    morpholine 95.81
    tert-butylamine 13.77
    n-dodecanol 3.79
    dimethoxymethane 89.9
    ethylene carbonate 45.33
    cyrene 42.29
    2-ethoxyethyl acetate 44.35
    2-ethylhexyl acetate 24.02
    1,2,4-trichlorobenzene 37.62
    4-methylpyridine 71.01
    dibutyl ether 5.79
    2,6-dimethyl-4-heptanol 6.99
    DEF 47.63
    dimethyl isosorbide 50.97
    tetrachloroethylene 75.74
    eugenol 36.4
    triacetin 29.64
    span 80 24.44
    1,4-butanediol 24.19
    1,1-dichloroethane 83.76
    2-methyl-1-pentanol 28.92
    methyl formate 47.2
    2-methyl-1-butanol 41.42
    n-decane 0.42
    butyronitrile 41.88
    3,7-dimethyl-1-octanol 9.2
    1-chlorooctane 3.36
    1-chlorotetradecane 1.4
    n-nonane 0.32
    undecane 0.32
    tert-butylcyclohexane 0.65
    cyclooctane 0.32
    cyclopentanol 37.02
    tetrahydropyran 55.14
    tert-amyl methyl ether 16.72
    2,5,8-trioxanonane 47.9
    1-hexene 3.43
    2-isopropoxyethanol 45.93
    2,2,2-trifluoroethanol 47.26
    methyl butyrate 34.77

    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