Pyridaben

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  • Identifiers

    CAS number
    96489-71-3

    Molecular formula
    C19H25ClN2OS

    SMILES
    CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 43.52%
    Roasted 32.87%
    Green 30.52%
    Grapefruit 30.2%
    Meaty 27.83%
    Floral 27.56%
    Woody 26.84%
    Fatty 25.64%
    Burnt 24.28%
    Tropical 23.94%

     

    Flavor
    Bitter 32.47%
    Earthy 22.63%
    Green pepper 22.38%
    Green 21.92%
    Musty 21.69%
    Syrup 21.53%
    Carrot 21.08%
    Tomato leaf 20.96%
    Mild 20.79%
    Creosote 20.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    5.58 (weak acid)

    Molecular weight
    364.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    628°C

    Melting point expt.

    • 111-112 °C

    Flash point

    • 196.1 ˚C est.

    Solubility expt.

    • In organic solvents (g/l @ 20 °C): acetone 460, ethanol 57, hexane 10, benzene 110, xylene 390, cyclohexane 320, n-octanol 63.
    • In water, 0.012 mg/l @ 24 °C

  • Synonyms

    • Pyridaben
    • 96489-71-3
    • Sanmite
    • Pyridaben [ISO]
    • 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one
    • Damanlin
    • Pyramite
    • NCI 129
    • HSDB 7052
    • DTXSID5032573
    • CHEBI:38626
    • 2-tert-Butyl-5-(4-tert-butyl-benzylthio)-4-chloropyridazin-3(2H)-one
    • 2E4JBA5272
    • GWN 1715
    • PYRIDABEN [MI]
    • PYRIDABEN [HSDB]
    • 2-tert-Butyl-5-(4-tert-Butylbenzylthio)-4-chloropyridazin-3(2H)-one
    • MLS001165698
    • DTXCID3012573
    • EC 405-700-3
    • 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloropyridazin-3(2H)-one
    • Pyridaben 10 microg/mL in Cyclohexane
    • 3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-
    • 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)phenyl)methyl)thio)-3(2H)-pyridazinone
    • Pyridaben 100 microg/mL in Acetonitrile
    • SMR000550490
    • 2-(tert-butyl)-5-((4-(tert-butyl)benzyl)thio)-4-chloropyridazin-3(2H)-one
    • SR-01000789284
    • UNII-2E4JBA5272
    • 2-tert-butyl-5-((4-tert-butylbenzyl)thio)-4-chloropyridazin-3(2H)-one
    • 2-tert-butyl-5-(((4-tert-butylphenyl)methyl)sulfanyl)-4-chloro-2,3-dihydropyridazin-3-one
    • 2-tert-butyl-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-chloro-2,3-dihydropyridazin-3-one
    • Sanmite (Nissan)
    • Pyridaben (Standard)
    • Pesticide Code 129105
    • SCHEMBL27429
    • cid_91754
    • CHEMBL225963
    • BDBM58401
    • DWFZBUWUXWZWKD-UHFFFAOYSA-
    • HY-B0817R
    • NCI-129
    • HMS2885L11
    • HY-B0817
    • MSK25016
    • Tox21_301090
    • MFCD00274601
    • NC-129
    • AKOS015897404
    • Pyridaben 1000 microg/mL in Toluene
    • 4-chloro-2-(1,1-dimethylethyl)-5-
    • KS-1098
    • NCGC00164309-01
    • NCGC00164309-02
    • NCGC00164309-03
    • NCGC00254990-01
    • CAS-96489-71-3
    • CS-0012834
    • NS00010535
    • Pyridaben, PESTANAL(R), analytical standard
    • C18614
    • F21234
    • Q2119916
    • SR-01000789284-2
    • SR-01000789284-3
    • 2tertButyl5(4tertbutylbenzylthio)4chloropyridazin3(2H)one
    • 4-Chloro-2-(1,1-dimethylethyl)-5-[[[4-(1,1-dimethy
    • 2 -t-butyl-5-(p-t-butylbenzylthio)-4-chloro-3(2H)-pyridazinone
    • 2-t-butyl-5-(p-t-butylbenzylthio)-4-chloro-3(2H)-pyridazinone
    • 2-tert-butyl-5-(4-butylbenzylthio)-4-chloropyridazin-3(2H)-one
    • 2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloro-pyridazin-3-one
    • 2-tert-butyl-4-chloro-5-(4-tert-butylbenzyl) thio 3(2H)-pyridazinone
    • 2-tert-butyl-4-chloro-5-(4-tert-butylbenzyl)thio 3(2H)-pyridazinone
    • 2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-4-chloro-3-pyridazinone
    • 2-tert.-butyl-4-chloro-5-(4-tert.-butyl-benzylthio)-3(2H)-pyridazinone
    • 2-tert.-butyl-4-chloro-5-(4-tert.-butylbenzylthio)-3(2H)-pyridazinone
    • 2-tert-Butyl-5-[(4-tert-butylbenzyl)sulfanyl]-4-chloro-3(2H)-pyridazinone #
    • 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one
    • 3(2H)Pyridazinone, 4chloro2(1,1dimethylethyl)5(((4(1,1dimethylethyl)phenyl)methyl)thio)
    • 405-700-3
    • InChI=1/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3

  • Applications

    Pyridaben, CAS 96489-71-3, is an acaricide and insecticide used in agriculture to control mites and certain pests on crops. Principal applications include protection of field crops and crops grown in protected environments (greenhouses), control of mites and insects on fruits and vegetables, and use on ornamental plants in floriculture. It is commonly integrated into integrated pest management (IPM) programs and formulated in pesticide products as emulsifiable concentrates (EC), suspension concentrates (SC), or wettable powders (WP) for foliar applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.75
    methanol 112.73
    isopropanol 101.74
    water 0.07
    ethyl acetate 360.57
    n-propanol 188.16
    acetone 419.99
    n-butanol 190.85
    acetonitrile 166.16
    DMF 721.06
    toluene 677.78
    isobutanol 155.08
    1,4-dioxane 447.05
    methyl acetate 305.44
    THF 1198.88
    2-butanone 508.73
    n-pentanol 166.66
    sec-butanol 160.39
    n-hexane 10.55
    ethylene glycol 14.66
    NMP 872.92
    cyclohexane 27.3
    DMSO 236.22
    n-butyl acetate 270.48
    n-octanol 62.87
    chloroform 1841.57
    n-propyl acetate 243.97
    acetic acid 228.89
    dichloromethane 1441.37
    cyclohexanone 952.52
    propylene glycol 56.49
    isopropyl acetate 216.12
    DMAc 745.66
    2-ethoxyethanol 233.36
    isopentanol 170.75
    n-heptane 9.81
    ethyl formate 242.36
    1,2-dichloroethane 805.23
    n-hexanol 156.1
    2-methoxyethanol 302.01
    isobutyl acetate 172.81
    tetrachloromethane 126.45
    n-pentyl acetate 216.33
    transcutol 625.96
    n-heptanol 90.27
    ethylbenzene 155.67
    MIBK 232.95
    2-propoxyethanol 307.83
    tert-butanol 107.08
    MTBE 168.04
    2-butoxyethanol 206.33
    propionic acid 170.73
    o-xylene 191.63
    formic acid 69.41
    diethyl ether 199.66
    m-xylene 267.45
    p-xylene 207.86
    chlorobenzene 659.28
    dimethyl carbonate 160.1
    n-octane 3.82
    formamide 134.71
    cyclopentanone 1031.42
    2-pentanone 428.11
    anisole 299.77
    cyclopentyl methyl ether 516.91
    gamma-butyrolactone 843.09
    1-methoxy-2-propanol 273.39
    pyridine 968.03
    3-pentanone 327.27
    furfural 739.44
    n-dodecane 2.57
    diethylene glycol 145.67
    diisopropyl ether 52.96
    tert-amyl alcohol 142.32
    acetylacetone 417.32
    n-hexadecane 3.2
    acetophenone 323.24
    methyl propionate 336.58
    isopentyl acetate 243.1
    trichloroethylene 2061.41
    n-nonanol 59.86
    cyclohexanol 271.81
    benzyl alcohol 295.26
    2-ethylhexanol 107.07
    isooctanol 77.14
    dipropyl ether 114.64
    1,2-dichlorobenzene 461.55
    ethyl lactate 121.68
    propylene carbonate 487.85
    n-methylformamide 287.52
    2-pentanol 129.54
    n-pentane 12.86
    1-propoxy-2-propanol 221.07
    1-methoxy-2-propyl acetate 288.31
    2-(2-methoxypropoxy) propanol 167.94
    mesitylene 95.89
    ε-caprolactone 673.03
    p-cymene 75.99
    epichlorohydrin 1285.11
    1,1,1-trichloroethane 712.91
    2-aminoethanol 72.12
    morpholine-4-carbaldehyde 734.45
    sulfolane 687.7
    2,2,4-trimethylpentane 9.52
    2-methyltetrahydrofuran 762.64
    n-hexyl acetate 222.77
    isooctane 5.61
    2-(2-butoxyethoxy)ethanol 231.72
    sec-butyl acetate 175.77
    tert-butyl acetate 208.23
    decalin 14.18
    glycerin 63.03
    diglyme 447.01
    acrylic acid 157.97
    isopropyl myristate 63.96
    n-butyric acid 298.04
    acetyl acetate 199.31
    di(2-ethylhexyl) phthalate 91.23
    ethyl propionate 202.19
    nitromethane 416.56
    1,2-diethoxyethane 235.54
    benzonitrile 377.93
    trioctyl phosphate 55.79
    1-bromopropane 398.44
    gamma-valerolactone 1232.19
    n-decanol 38.96
    triethyl phosphate 83.6
    4-methyl-2-pentanol 77.42
    propionitrile 212.22
    vinylene carbonate 448.09
    1,1,2-trichlorotrifluoroethane 643.95
    DMS 191.49
    cumene 80.04
    2-octanol 61.49
    2-hexanone 265.84
    octyl acetate 94.59
    limonene 107.8
    1,2-dimethoxyethane 361.42
    ethyl orthosilicate 87.74
    tributyl phosphate 66.94
    diacetone alcohol 244.83
    N,N-dimethylaniline 180.57
    acrylonitrile 272.64
    aniline 501.52
    1,3-propanediol 117.19
    bromobenzene 683.65
    dibromomethane 865.05
    1,1,2,2-tetrachloroethane 1364.23
    2-methyl-cyclohexyl acetate 176.68
    tetrabutyl urea 95.01
    diisobutyl methanol 47.91
    2-phenylethanol 276.04
    styrene 220.36
    dioctyl adipate 114.33
    dimethyl sulfate 211.39
    ethyl butyrate 192.08
    methyl lactate 150.66
    butyl lactate 165.54
    diethyl carbonate 121.77
    propanediol butyl ether 164.83
    triethyl orthoformate 140.24
    p-tert-butyltoluene 69.05
    methyl 4-tert-butylbenzoate 191.72
    morpholine 688.72
    tert-butylamine 69.09
    n-dodecanol 26.53
    dimethoxymethane 407.42
    ethylene carbonate 353.05
    cyrene 247.76
    2-ethoxyethyl acetate 307.63
    2-ethylhexyl acetate 213.78
    1,2,4-trichlorobenzene 585.78
    4-methylpyridine 1081.09
    dibutyl ether 76.35
    2,6-dimethyl-4-heptanol 47.91
    DEF 426.11
    dimethyl isosorbide 375.43
    tetrachloroethylene 728.87
    eugenol 208.97
    triacetin 191.53
    span 80 156.5
    1,4-butanediol 63.13
    1,1-dichloroethane 782.44
    2-methyl-1-pentanol 169.68
    methyl formate 235.68
    2-methyl-1-butanol 193.21
    n-decane 5.19
    butyronitrile 259.1
    3,7-dimethyl-1-octanol 67.05
    1-chlorooctane 50.52
    1-chlorotetradecane 14.6
    n-nonane 4.64
    undecane 3.49
    tert-butylcyclohexane 11.62
    cyclooctane 7.58
    cyclopentanol 299.81
    tetrahydropyran 601.9
    tert-amyl methyl ether 168.47
    2,5,8-trioxanonane 258.85
    1-hexene 76.8
    2-isopropoxyethanol 177.44
    2,2,2-trifluoroethanol 85.98
    methyl butyrate 282.74

    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