Propisochlor

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  • Identifiers

    CAS number
    86763-47-5

    Molecular formula
    C15H22ClNO2

    SMILES
    CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Mint 29.42%
    Cooling 29.11%
    Odorless 27.51%
    Fruity 27.15%
    Grape 26.89%
    Grapefruit 26.78%
    Floral 26.09%
    Animal 24.95%
    Musk 24.22%
    Dry 23.86%

     

    Flavor
    Bitter 35.87%
    Odorless 28.47%
    Bland 25.4%
    Mild 24.87%
    Green pepper 19.57%
    Syrup 19.2%
    Heather 19.15%
    Cedarleaf 19.12%
    Parsley 19.08%
    Carrot 19.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.58 (neutral)

    Molecular weight
    283.79 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 157.79 ˚C est.

  • Synonyms

    • Propisochlor
    • 86763-47-5
    • Proponit
    • PROPIZOCHLOR
    • 88248R3YQC
    • 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)acetamide
    • DTXSID2058205
    • Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)-
    • Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]-
    • RefChem:176441
    • DTXCID5031973
    • 2-chloro-6'-ethyl-N-isopropoxymethylaceto-o-toluidie
    • 617-914-6
    • 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(isopropoxymethyl)acetamide
    • Propisochlor [ISO]
    • 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
    • UNII-88248R3YQC
    • Propisochlor 10 microg/mL in Cyclohexane
    • SCHEMBL65705
    • SCHEMBL29349823
    • KZNDFYDURHAESM-UHFFFAOYSA-N
    • 2-Chloro-2'-ethyl-6'-methyl-N-(isopropoxymethyl)acetanilide
    • MSK22401
    • 2-chloro-N-(2-ethyl-6-methyl-phenyl)-N-(isopropoxymethyl)acetamide
    • MFCD01632345
    • AKOS016014344
    • CS-W020974
    • AS-81806
    • DB-056952
    • NS00008927
    • G80070
    • Propisochlor, PESTANAL(R), analytical standard
    • 763P475
    • Q22808795
    • 2-CHLORO-6'-ETHYL-N-ISOPROPOXYMETHYLACET-O-TOLUIDIDE
    • 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-{[(propan-2-yl)oxy]methyl}acetamide
    • 86763-47-5

  • Applications

    Propisochlor is regarded as a potential agricultural active ingredient, typically used as the active component in pesticides and herbicides for certain crop systems. It also serves as an intermediate in the synthesis of other agrochemicals and related specialty chemicals, and may be incorporated into pesticide formulations to optimize performance and product stability. In research and development, propisochlor acts as a building block for new agrochemical candidates. Additionally, it can be used as a precursor in industrial manufacturing workflows, with applications and handling governed by local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 525.82
    methanol 543.62
    isopropanol 352.73
    water 2.57
    ethyl acetate 614.55
    n-propanol 474.5
    acetone 884.08
    n-butanol 455.61
    acetonitrile 447.55
    DMF 1322.13
    toluene 383.17
    isobutanol 391.61
    1,4-dioxane 959.37
    methyl acetate 558.97
    THF 1130.4
    2-butanone 668.11
    n-pentanol 300.2
    sec-butanol 365.82
    n-hexane 24.7
    ethylene glycol 144.19
    NMP 1342.05
    cyclohexane 84.85
    DMSO 817.59
    n-butyl acetate 363.88
    n-octanol 80.66
    chloroform 2881.54
    n-propyl acetate 301.91
    acetic acid 899.58
    dichloromethane 2534.5
    cyclohexanone 1202.7
    propylene glycol 157.17
    isopropyl acetate 331.17
    DMAc 1292.11
    2-ethoxyethanol 395.27
    isopentanol 393.15
    n-heptane 10.61
    ethyl formate 428.72
    1,2-dichloroethane 1749.63
    n-hexanol 258.61
    2-methoxyethanol 611.6
    isobutyl acetate 216.98
    tetrachloromethane 347.49
    n-pentyl acetate 226.44
    transcutol 664.87
    n-heptanol 111.3
    ethylbenzene 152.23
    MIBK 276.02
    2-propoxyethanol 425.15
    tert-butanol 398.82
    MTBE 402.64
    2-butoxyethanol 237.89
    propionic acid 445.63
    o-xylene 217.11
    formic acid 330.14
    diethyl ether 414.67
    m-xylene 209.27
    p-xylene 234.24
    chlorobenzene 670.82
    dimethyl carbonate 252.67
    n-octane 5.46
    formamide 402.86
    cyclopentanone 1131.44
    2-pentanone 518.37
    anisole 326.14
    cyclopentyl methyl ether 506.83
    gamma-butyrolactone 1144.44
    1-methoxy-2-propanol 393.31
    pyridine 973.29
    3-pentanone 454.25
    furfural 966.21
    n-dodecane 5.07
    diethylene glycol 354.7
    diisopropyl ether 92.42
    tert-amyl alcohol 342.0
    acetylacetone 562.33
    n-hexadecane 6.09
    acetophenone 349.51
    methyl propionate 450.53
    isopentyl acetate 333.56
    trichloroethylene 3022.9
    n-nonanol 77.41
    cyclohexanol 539.4
    benzyl alcohol 336.01
    2-ethylhexanol 146.83
    isooctanol 94.67
    dipropyl ether 135.33
    1,2-dichlorobenzene 577.35
    ethyl lactate 155.16
    propylene carbonate 668.2
    n-methylformamide 501.1
    2-pentanol 246.34
    n-pentane 24.52
    1-propoxy-2-propanol 245.55
    1-methoxy-2-propyl acetate 317.8
    2-(2-methoxypropoxy) propanol 190.68
    mesitylene 112.15
    ε-caprolactone 856.05
    p-cymene 86.76
    epichlorohydrin 1417.98
    1,1,1-trichloroethane 1362.2
    2-aminoethanol 256.71
    morpholine-4-carbaldehyde 957.5
    sulfolane 1140.23
    2,2,4-trimethylpentane 23.8
    2-methyltetrahydrofuran 852.08
    n-hexyl acetate 249.6
    isooctane 12.09
    2-(2-butoxyethoxy)ethanol 248.61
    sec-butyl acetate 214.39
    tert-butyl acetate 294.7
    decalin 35.46
    glycerin 219.48
    diglyme 517.54
    acrylic acid 443.54
    isopropyl myristate 84.76
    n-butyric acid 627.64
    acetyl acetate 448.74
    di(2-ethylhexyl) phthalate 125.78
    ethyl propionate 257.21
    nitromethane 1049.29
    1,2-diethoxyethane 277.05
    benzonitrile 404.08
    trioctyl phosphate 81.81
    1-bromopropane 659.92
    gamma-valerolactone 1286.6
    n-decanol 56.14
    triethyl phosphate 137.98
    4-methyl-2-pentanol 137.66
    propionitrile 368.48
    vinylene carbonate 641.73
    1,1,2-trichlorotrifluoroethane 970.8
    DMS 277.09
    cumene 99.1
    2-octanol 70.6
    2-hexanone 307.06
    octyl acetate 119.21
    limonene 135.4
    1,2-dimethoxyethane 608.5
    ethyl orthosilicate 131.29
    tributyl phosphate 105.49
    diacetone alcohol 303.48
    N,N-dimethylaniline 222.91
    acrylonitrile 445.51
    aniline 459.97
    1,3-propanediol 371.78
    bromobenzene 727.29
    dibromomethane 1533.54
    1,1,2,2-tetrachloroethane 2317.51
    2-methyl-cyclohexyl acetate 219.37
    tetrabutyl urea 131.48
    diisobutyl methanol 78.14
    2-phenylethanol 293.31
    styrene 216.6
    dioctyl adipate 149.84
    dimethyl sulfate 408.19
    ethyl butyrate 224.32
    methyl lactate 214.58
    butyl lactate 170.36
    diethyl carbonate 175.62
    propanediol butyl ether 178.94
    triethyl orthoformate 166.73
    p-tert-butyltoluene 80.39
    methyl 4-tert-butylbenzoate 226.37
    morpholine 1091.36
    tert-butylamine 218.6
    n-dodecanol 43.31
    dimethoxymethane 531.82
    ethylene carbonate 583.74
    cyrene 287.16
    2-ethoxyethyl acetate 316.29
    2-ethylhexyl acetate 271.29
    1,2,4-trichlorobenzene 688.02
    4-methylpyridine 947.48
    dibutyl ether 105.83
    2,6-dimethyl-4-heptanol 78.14
    DEF 693.92
    dimethyl isosorbide 370.11
    tetrachloroethylene 1533.44
    eugenol 234.02
    triacetin 231.59
    span 80 184.04
    1,4-butanediol 174.79
    1,1-dichloroethane 1484.23
    2-methyl-1-pentanol 300.5
    methyl formate 438.97
    2-methyl-1-butanol 419.09
    n-decane 8.21
    butyronitrile 405.87
    3,7-dimethyl-1-octanol 90.7
    1-chlorooctane 68.4
    1-chlorotetradecane 26.5
    n-nonane 7.23
    undecane 6.13
    tert-butylcyclohexane 27.65
    cyclooctane 17.32
    cyclopentanol 502.9
    tetrahydropyran 962.4
    tert-amyl methyl ether 283.84
    2,5,8-trioxanonane 322.55
    1-hexene 121.33
    2-isopropoxyethanol 257.88
    2,2,2-trifluoroethanol 405.68
    methyl butyrate 383.83

    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