Pethoxamid

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  • Identifiers

    CAS number
    106700-29-2

    Molecular formula
    C16H22ClNO2

    SMILES
    CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 45.25%
    Sweet 38.41%
    Fruity 34.01%
    Woody 32.27%
    Fresh 30.01%
    Rose 26.78%
    Grapefruit 26.41%
    Citrus 26.4%
    Dry 25.27%
    Grape 24.08%

     

    Flavor
    Bitter 43.96%
    Odorless 25.66%
    Bland 21.8%
    Mild 20.91%
    Heather 19.63%
    Genet 19.28%
    Broom 19.28%
    Cedarleaf 19.18%
    Green pepper 19.14%
    Nitrile 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.36 (neutral)

    Molecular weight
    295.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point

    • 177.93 ˚C est.

  • Synonyms

    • Pethoxamid
    • 106700-29-2
    • 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
    • 352ZYP854D
    • DTXSID4057928
    • RefChem:172120
    • DTXCID9031696
    • Pethoxamid [ISO]
    • UNII-352ZYP854D
    • 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide
    • pethoxamide
    • Acetamide, 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)-
    • PETHOXAMID [MI]
    • SCHEMBL114497
    • CHEMBL2287834
    • CHEBI:83523
    • GEA70029
    • MSK22388
    • 2-Chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propenyl)acetamide
    • NS00000317
    • Pethoxamid, PESTANAL(R), analytical standard
    • Q905571
    • 106700-29-2

  • Applications

    Pethoxamid (CAS 106700-29-2) is an herbicidal active ingredient primarily used in agriculture, serving as the active component in herbicide products to control weeds on cropland. It is formulated in herbicide products as emulsifiable concentrates or in mixtures with other herbicides to optimize spectrum and efficacy. In the field of agriculture and weed management, pethoxamid is an option for integrated weed management systems. It is also evaluated and developed in research and development to create new herbicide formulations and to optimize formulation stability. Use is subject to local regulations and product labeling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 386.69
    methanol 630.97
    isopropanol 187.67
    water 3.47
    ethyl acetate 440.78
    n-propanol 311.66
    acetone 731.85
    n-butanol 275.01
    acetonitrile 527.68
    DMF 969.27
    toluene 176.63
    isobutanol 237.06
    1,4-dioxane 423.36
    methyl acetate 417.44
    THF 512.58
    2-butanone 443.22
    n-pentanol 199.26
    sec-butanol 185.18
    n-hexane 9.23
    ethylene glycol 162.6
    NMP 897.46
    cyclohexane 24.17
    DMSO 877.76
    n-butyl acetate 239.22
    n-octanol 53.4
    chloroform 2081.25
    n-propyl acetate 226.02
    acetic acid 859.34
    dichloromethane 2350.55
    cyclohexanone 661.1
    propylene glycol 124.2
    isopropyl acetate 202.14
    DMAc 946.04
    2-ethoxyethanol 348.1
    isopentanol 211.55
    n-heptane 5.57
    ethyl formate 363.59
    1,2-dichloroethane 1377.04
    n-hexanol 139.53
    2-methoxyethanol 505.69
    isobutyl acetate 150.03
    tetrachloromethane 190.33
    n-pentyl acetate 144.15
    transcutol 559.02
    n-heptanol 66.56
    ethylbenzene 90.09
    MIBK 172.52
    2-propoxyethanol 270.77
    tert-butanol 193.1
    MTBE 176.29
    2-butoxyethanol 168.79
    propionic acid 340.2
    o-xylene 111.4
    formic acid 412.78
    diethyl ether 234.68
    m-xylene 109.83
    p-xylene 113.77
    chlorobenzene 414.03
    dimethyl carbonate 202.26
    n-octane 3.24
    formamide 527.1
    cyclopentanone 713.55
    2-pentanone 332.16
    anisole 201.98
    cyclopentyl methyl ether 275.52
    gamma-butyrolactone 778.04
    1-methoxy-2-propanol 284.85
    pyridine 602.41
    3-pentanone 298.84
    furfural 751.97
    n-dodecane 3.12
    diethylene glycol 287.65
    diisopropyl ether 43.04
    tert-amyl alcohol 171.97
    acetylacetone 422.01
    n-hexadecane 3.68
    acetophenone 260.42
    methyl propionate 340.77
    isopentyl acetate 199.81
    trichloroethylene 2406.26
    n-nonanol 49.04
    cyclohexanol 261.37
    benzyl alcohol 247.43
    2-ethylhexanol 85.69
    isooctanol 59.25
    dipropyl ether 83.68
    1,2-dichlorobenzene 387.07
    ethyl lactate 129.26
    propylene carbonate 474.54
    n-methylformamide 488.13
    2-pentanol 129.55
    n-pentane 9.68
    1-propoxy-2-propanol 170.96
    1-methoxy-2-propyl acetate 208.26
    2-(2-methoxypropoxy) propanol 141.19
    mesitylene 55.47
    ε-caprolactone 503.16
    p-cymene 55.3
    epichlorohydrin 991.91
    1,1,1-trichloroethane 788.99
    2-aminoethanol 236.22
    morpholine-4-carbaldehyde 644.95
    sulfolane 844.74
    2,2,4-trimethylpentane 9.89
    2-methyltetrahydrofuran 404.36
    n-hexyl acetate 162.41
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 179.95
    sec-butyl acetate 141.1
    tert-butyl acetate 168.41
    decalin 15.22
    glycerin 209.62
    diglyme 401.89
    acrylic acid 366.6
    isopropyl myristate 51.43
    n-butyric acid 435.65
    acetyl acetate 326.29
    di(2-ethylhexyl) phthalate 86.97
    ethyl propionate 189.44
    nitromethane 1100.23
    1,2-diethoxyethane 190.88
    benzonitrile 310.85
    trioctyl phosphate 54.61
    1-bromopropane 451.47
    gamma-valerolactone 769.92
    n-decanol 34.83
    triethyl phosphate 103.89
    4-methyl-2-pentanol 73.55
    propionitrile 317.78
    vinylene carbonate 476.88
    1,1,2-trichlorotrifluoroethane 785.75
    DMS 199.45
    cumene 59.73
    2-octanol 40.81
    2-hexanone 196.15
    octyl acetate 77.49
    limonene 81.83
    1,2-dimethoxyethane 419.14
    ethyl orthosilicate 93.72
    tributyl phosphate 72.18
    diacetone alcohol 192.89
    N,N-dimethylaniline 146.75
    acrylonitrile 424.85
    aniline 289.95
    1,3-propanediol 285.1
    bromobenzene 432.11
    dibromomethane 1308.59
    1,1,2,2-tetrachloroethane 1583.25
    2-methyl-cyclohexyl acetate 142.86
    tetrabutyl urea 96.6
    diisobutyl methanol 44.99
    2-phenylethanol 187.67
    styrene 129.03
    dioctyl adipate 105.81
    dimethyl sulfate 349.4
    ethyl butyrate 173.7
    methyl lactate 171.32
    butyl lactate 127.31
    diethyl carbonate 140.49
    propanediol butyl ether 131.33
    triethyl orthoformate 117.44
    p-tert-butyltoluene 47.66
    methyl 4-tert-butylbenzoate 168.3
    morpholine 560.05
    tert-butylamine 104.2
    n-dodecanol 26.44
    dimethoxymethane 403.94
    ethylene carbonate 405.48
    cyrene 213.87
    2-ethoxyethyl acetate 223.51
    2-ethylhexyl acetate 156.66
    1,2,4-trichlorobenzene 438.45
    4-methylpyridine 564.68
    dibutyl ether 66.67
    2,6-dimethyl-4-heptanol 44.99
    DEF 452.95
    dimethyl isosorbide 256.13
    tetrachloroethylene 1068.3
    eugenol 175.96
    triacetin 181.23
    span 80 121.52
    1,4-butanediol 157.05
    1,1-dichloroethane 1004.81
    2-methyl-1-pentanol 178.23
    methyl formate 432.84
    2-methyl-1-butanol 239.0
    n-decane 5.25
    butyronitrile 319.31
    3,7-dimethyl-1-octanol 55.7
    1-chlorooctane 43.11
    1-chlorotetradecane 15.49
    n-nonane 4.7
    undecane 3.8
    tert-butylcyclohexane 12.08
    cyclooctane 5.56
    cyclopentanol 261.87
    tetrahydropyran 406.05
    tert-amyl methyl ether 145.08
    2,5,8-trioxanonane 244.86
    1-hexene 60.93
    2-isopropoxyethanol 212.63
    2,2,2-trifluoroethanol 364.13
    methyl butyrate 287.63

    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