Pyridate

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  • Identifiers

    CAS number
    55512-33-9

    Molecular formula
    C19H23ClN2O2S

    SMILES
    CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Meaty 37.69%
    Roasted 37.15%
    Fatty 32.08%
    Savory 31.0%
    Floral 27.49%
    Citrus 26.57%
    Fruity 26.42%
    Cooked 25.88%
    Sulfurous 24.97%
    Green 23.8%

     

    Flavor
    Bitter 29.88%
    Odorless 27.82%
    Mild 27.7%
    Bland 27.62%
    Carrot 20.88%
    Tomato leaf 20.67%
    Green pepper 20.54%
    Syrup 20.4%
    Cedarleaf 20.24%
    Scallion 20.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    6.84 (neutral)

    Molecular weight
    378.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 208.75 ˚C est.

  • Synonyms

    • Pyridate
    • 55512-33-9
    • Fenpyrate
    • Lentagran
    • DTXSID2032639
    • JQH131LU0A
    • O-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioate
    • CL-11344
    • CARBONOTHIOIC ACID, O-(6-CHLORO-3-PHENYL-4-PYRIDAZINYL) S-OCTYL ESTER
    • DTXCID0012639
    • RefChem:177554
    • O-(6-chloro-3-phenyl-4-pyridazinyl)carbonothioic acid S-octyl ester
    • 259-686-7
    • Pyridat
    • Tough
    • Pyron
    • CL 11344
    • P1 3419
    • Caswell No. 716A
    • Pyridate [BSI:ISO]
    • Pyridate [ISO]
    • EINECS 259-686-7
    • UNII-JQH131LU0A
    • EPA Pesticide Chemical Code 128834
    • BRN 0759528
    • O-(6-Chloro-3-phenylpyridazin-4-yl) S-octyl thiocarbonate
    • PYRIDATE [MI]
    • Pyridat, analytical standard
    • SCHEMBL53240
    • orb1705487
    • orb3025141
    • (6-chloro-3-phenyl-pyridazin-4-yl) octylsulfanylformate
    • (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
    • CHEMBL3186929
    • SCHEMBL30750987
    • CHEBI:81971
    • MSK22163
    • Tox21_301247
    • Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridizinyl) S-octyl ester
    • MFCD00078718
    • AKOS040744655
    • NCGC00255286-01
    • CAS-55512-33-9
    • DB-052749
    • Pyridat, PESTANAL(R), analytical standard
    • NS00000573
    • C18803
    • 512P339
    • Q1809267
    • o-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl thiocarbonate
    • O-(6-Chloro-3-phenylpyridazin-4-yl) S-octyl carbonothioate
    • O-6-CHLORO-3-PHENYLPYRIDAZIN-4-YL S-OCTYL THIOCARBONATE
    • 55512-33-9

  • Applications

    Pyridate (CAS 55512-33-9) is an herbicidal active ingredient used in agriculture to control weeds; it is formulated into commercial crop protection products and applied in weed management programs for cultivated crops; it may be used as an intermediate in the synthesis of other agrochemicals; in research and development, Pyridate is evaluated as a tool compound to study herbicide modes of action and weed physiology; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 338.07
    methanol 335.52
    isopropanol 175.14
    water 0.57
    ethyl acetate 929.68
    n-propanol 349.25
    acetone 1565.34
    n-butanol 268.94
    acetonitrile 542.12
    DMF 3463.57
    toluene 673.25
    isobutanol 233.99
    1,4-dioxane 530.49
    methyl acetate 1008.98
    THF 1564.8
    2-butanone 1334.87
    n-pentanol 180.49
    sec-butanol 246.03
    n-hexane 4.97
    ethylene glycol 84.66
    NMP 4445.56
    cyclohexane 15.97
    DMSO 2289.57
    n-butyl acetate 374.15
    n-octanol 31.11
    chloroform 2306.01
    n-propyl acetate 445.86
    acetic acid 1019.65
    dichloromethane 3194.37
    cyclohexanone 1913.02
    propylene glycol 159.63
    isopropyl acetate 428.08
    DMAc 3278.11
    2-ethoxyethanol 452.08
    isopentanol 219.24
    n-heptane 3.79
    ethyl formate 511.83
    1,2-dichloroethane 2394.42
    n-hexanol 103.46
    2-methoxyethanol 921.29
    isobutyl acetate 225.9
    tetrachloromethane 194.12
    n-pentyl acetate 291.44
    transcutol 1233.16
    n-heptanol 59.68
    ethylbenzene 127.43
    MIBK 397.01
    2-propoxyethanol 379.78
    tert-butanol 156.81
    MTBE 206.96
    2-butoxyethanol 253.14
    propionic acid 715.18
    o-xylene 241.28
    formic acid 379.31
    diethyl ether 221.36
    m-xylene 240.59
    p-xylene 187.01
    chlorobenzene 1103.55
    dimethyl carbonate 646.76
    n-octane 1.78
    formamide 971.89
    cyclopentanone 2698.01
    2-pentanone 953.1
    anisole 395.8
    cyclopentyl methyl ether 694.74
    gamma-butyrolactone 2786.04
    1-methoxy-2-propanol 597.63
    pyridine 1883.9
    3-pentanone 786.13
    furfural 2263.3
    n-dodecane 1.62
    diethylene glycol 291.96
    diisopropyl ether 47.34
    tert-amyl alcohol 207.8
    acetylacetone 1315.53
    n-hexadecane 1.97
    acetophenone 615.01
    methyl propionate 1068.31
    isopentyl acetate 294.0
    trichloroethylene 5643.68
    n-nonanol 32.77
    cyclohexanol 358.75
    benzyl alcohol 480.68
    2-ethylhexanol 67.5
    isooctanol 55.72
    dipropyl ether 84.06
    1,2-dichlorobenzene 831.62
    ethyl lactate 238.98
    propylene carbonate 1238.41
    n-methylformamide 1434.35
    2-pentanol 145.02
    n-pentane 6.38
    1-propoxy-2-propanol 250.83
    1-methoxy-2-propyl acetate 505.01
    2-(2-methoxypropoxy) propanol 228.61
    mesitylene 90.07
    ε-caprolactone 1447.29
    p-cymene 57.46
    epichlorohydrin 3568.18
    1,1,1-trichloroethane 1425.02
    2-aminoethanol 238.63
    morpholine-4-carbaldehyde 2075.47
    sulfolane 3581.5
    2,2,4-trimethylpentane 6.54
    2-methyltetrahydrofuran 980.84
    n-hexyl acetate 220.18
    isooctane 3.24
    2-(2-butoxyethoxy)ethanol 304.61
    sec-butyl acetate 272.5
    tert-butyl acetate 402.72
    decalin 8.87
    glycerin 259.26
    diglyme 713.39
    acrylic acid 866.84
    isopropyl myristate 64.57
    n-butyric acid 820.27
    acetyl acetate 636.64
    di(2-ethylhexyl) phthalate 115.24
    ethyl propionate 390.59
    nitromethane 2446.77
    1,2-diethoxyethane 312.72
    benzonitrile 627.85
    trioctyl phosphate 63.57
    1-bromopropane 586.67
    gamma-valerolactone 3213.8
    n-decanol 23.66
    triethyl phosphate 134.87
    4-methyl-2-pentanol 75.11
    propionitrile 433.47
    vinylene carbonate 1119.06
    1,1,2-trichlorotrifluoroethane 2206.59
    DMS 489.83
    cumene 62.01
    2-octanol 36.66
    2-hexanone 452.48
    octyl acetate 98.41
    limonene 90.02
    1,2-dimethoxyethane 547.47
    ethyl orthosilicate 110.17
    tributyl phosphate 89.17
    diacetone alcohol 541.75
    N,N-dimethylaniline 215.81
    acrylonitrile 839.58
    aniline 851.27
    1,3-propanediol 315.97
    bromobenzene 1124.65
    dibromomethane 1474.84
    1,1,2,2-tetrachloroethane 3354.2
    2-methyl-cyclohexyl acetate 209.55
    tetrabutyl urea 131.44
    diisobutyl methanol 39.21
    2-phenylethanol 282.14
    styrene 236.09
    dioctyl adipate 154.67
    dimethyl sulfate 1304.59
    ethyl butyrate 279.02
    methyl lactate 547.29
    butyl lactate 252.45
    diethyl carbonate 194.95
    propanediol butyl ether 212.72
    triethyl orthoformate 158.48
    p-tert-butyltoluene 50.78
    methyl 4-tert-butylbenzoate 285.79
    morpholine 950.53
    tert-butylamine 74.29
    n-dodecanol 17.66
    dimethoxymethane 1069.67
    ethylene carbonate 807.6
    cyrene 404.52
    2-ethoxyethyl acetate 552.19
    2-ethylhexyl acetate 230.95
    1,2,4-trichlorobenzene 1231.45
    4-methylpyridine 1842.91
    dibutyl ether 55.03
    2,6-dimethyl-4-heptanol 39.21
    DEF 1438.31
    dimethyl isosorbide 533.16
    tetrachloroethylene 1765.72
    eugenol 309.04
    triacetin 386.82
    span 80 197.02
    1,4-butanediol 127.29
    1,1-dichloroethane 1592.09
    2-methyl-1-pentanol 176.04
    methyl formate 953.35
    2-methyl-1-butanol 272.5
    n-decane 2.37
    butyronitrile 351.5
    3,7-dimethyl-1-octanol 45.78
    1-chlorooctane 27.69
    1-chlorotetradecane 10.52
    n-nonane 1.93
    undecane 1.88
    tert-butylcyclohexane 6.57
    cyclooctane 4.05
    cyclopentanol 476.69
    tetrahydropyran 589.97
    tert-amyl methyl ether 202.51
    2,5,8-trioxanonane 402.87
    1-hexene 49.63
    2-isopropoxyethanol 266.1
    2,2,2-trifluoroethanol 511.74
    methyl butyrate 589.05

    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