Propoxycarbazone sodium

  • Identifiers

    Molecular formula
    C15H17N4NaO7S

    SMILES
    CCCOC1=NN(C(=O)N1C)/C(=N/S(=O)(=O)C2=CC=CC=C2C(=O)OC)/[O-].[Na+]

  • Odor profile

    Fragrance
    Odorless 70.15%
    Grape 25.79%
    Fruity 20.64%
    Cooked 20.11%
    Bitter 18.28%
    Roasted 18.16%
    Savory 16.25%
    Cooling 15.14%
    Milky 14.99%
    Fresh 14.75%

     

    Flavor
    Bitter 86.91%
    Odorless 33.01%
    Bland 23.33%
    Nitrile 19.02%
    Bread crust 18.3%
    Taco 18.23%
    Cedarleaf 18.04%
    Broom 18.01%
    Sweet-like 17.94%
    Lovage 17.9%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.76 (weak acid)

    Molecular weight
    420.4 g/mol

    Flash point

    • 207.89 ˚C est.

  • Synonyms

    • Procarbazone sodium
    • Propoxycarbazone sodium
    • Propoxycarbazone-sodium [ISO]
    • B7Z8Z1D27B
    • Benzoic acid, 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)-, methyl ester, sodium salt
    • UNII-B7Z8Z1D27B
    • SCHEMBL117390
    • BAY-MKH 6561
    • HSDB 7891
    • MKH 6561
    • Methyl 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)benzoate sodium salt
  • Applications

    Propoxycarbazone sodium is primarily used as an herbicidal active ingredient in crop protection products, providing selective weed control in cereals and other crops; in formulations, the sodium salt improves water solubility and facilitates spray delivery, tank-mix compatibility, and formulation flexibility; it is also employed as an intermediate in the synthesis of related agrochemicals, enabling scalable production of herbicide-related compounds; in agricultural research and product development, it is evaluated for efficacy, selectivity, and resistance management; and it may be used as a raw material or building block in the industrial manufacturing of herbicide formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.72
    methanol 5.59
    isopropanol 1.68
    water 0.11
    ethyl acetate 12.09
    n-propanol 2.35
    acetone 31.13
    n-butanol 1.83
    acetonitrile 24.09
    DMF 51.39
    toluene 3.14
    isobutanol 1.45
    1,4-dioxane 14.45
    methyl acetate 23.44
    THF 27.65
    2-butanone 22.58
    n-pentanol 1.6
    sec-butanol 1.91
    n-hexane 0.06
    ethylene glycol 1.98
    NMP 131.41
    cyclohexane 0.19
    DMSO 86.98
    n-butyl acetate 5.65
    n-octanol 0.39
    chloroform 49.84
    n-propyl acetate 7.07
    acetic acid 32.89
    dichloromethane 69.1
    cyclohexanone 32.21
    propylene glycol 1.59
    isopropyl acetate 4.82
    DMAc 107.63
    2-ethoxyethanol 9.79
    isopentanol 1.62
    n-heptane 0.05
    ethyl formate 13.68
    1,2-dichloroethane 35.43
    n-hexanol 1.29
    2-methoxyethanol 16.77
    isobutyl acetate 2.27
    tetrachloromethane 3.21
    n-pentyl acetate 2.95
    transcutol 7.8
    n-heptanol 0.75
    ethylbenzene 1.38
    MIBK 3.89
    2-propoxyethanol 8.99
    tert-butanol 1.65
    MTBE 1.4
    2-butoxyethanol 5.18
    propionic acid 9.72
    o-xylene 2.04
    formic acid 25.57
    diethyl ether 2.42
    m-xylene 1.24
    p-xylene 2.32
    chlorobenzene 9.82
    dimethyl carbonate 14.1
    n-octane 0.03
    formamide 49.5
    cyclopentanone 48.26
    2-pentanone 10.31
    anisole 5.21
    cyclopentyl methyl ether 4.22
    gamma-butyrolactone 60.69
    1-methoxy-2-propanol 7.56
    pyridine 38.43
    3-pentanone 10.64
    furfural 67.3
    n-dodecane 0.03
    diethylene glycol 10.09
    diisopropyl ether 0.35
    tert-amyl alcohol 1.99
    acetylacetone 21.99
    n-hexadecane 0.03
    acetophenone 12.68
    methyl propionate 13.56
    isopentyl acetate 3.94
    trichloroethylene 109.32
    n-nonanol 0.48
    cyclohexanol 2.62
    benzyl alcohol 8.27
    2-ethylhexanol 0.86
    isooctanol 0.58
    dipropyl ether 1.07
    1,2-dichlorobenzene 10.34
    ethyl lactate 5.74
    propylene carbonate 25.78
    n-methylformamide 26.05
    2-pentanol 0.9
    n-pentane 0.06
    1-propoxy-2-propanol 3.96
    1-methoxy-2-propyl acetate 7.35
    2-(2-methoxypropoxy) propanol 6.64
    mesitylene 0.57
    ε-caprolactone 25.64
    p-cymene 0.8
    epichlorohydrin 67.2
    1,1,1-trichloroethane 16.97
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 53.75
    sulfolane 93.71
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 12.07
    n-hexyl acetate 2.39
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.11
    sec-butyl acetate 3.13
    tert-butyl acetate 3.78
    decalin 0.09
    glycerin 5.48
    diglyme 14.88
    acrylic acid 16.87
    isopropyl myristate 1.0
    n-butyric acid 9.56
    acetyl acetate 13.11
    di(2-ethylhexyl) phthalate 3.18
    ethyl propionate 7.11
    nitromethane 105.75
    1,2-diethoxyethane 2.97
    benzonitrile 14.2
    trioctyl phosphate 1.53
    1-bromopropane 5.62
    gamma-valerolactone 64.85
    n-decanol 0.38
    triethyl phosphate 4.13
    4-methyl-2-pentanol 0.52
    propionitrile 9.69
    vinylene carbonate 29.74
    1,1,2-trichlorotrifluoroethane 67.19
    DMS 8.55
    cumene 0.76
    2-octanol 0.37
    2-hexanone 7.46
    octyl acetate 1.67
    limonene 0.94
    1,2-dimethoxyethane 18.39
    ethyl orthosilicate 2.9
    tributyl phosphate 2.1
    diacetone alcohol 7.75
    N,N-dimethylaniline 3.24
    acrylonitrile 21.78
    aniline 7.46
    1,3-propanediol 4.52
    bromobenzene 8.96
    dibromomethane 26.25
    1,1,2,2-tetrachloroethane 56.04
    2-methyl-cyclohexyl acetate 4.37
    tetrabutyl urea 4.03
    diisobutyl methanol 0.38
    2-phenylethanol 6.52
    styrene 2.11
    dioctyl adipate 3.12
    dimethyl sulfate 39.57
    ethyl butyrate 4.89
    methyl lactate 11.4
    butyl lactate 3.16
    diethyl carbonate 4.9
    propanediol butyl ether 2.42
    triethyl orthoformate 3.3
    p-tert-butyltoluene 0.56
    methyl 4-tert-butylbenzoate 6.92
    morpholine 18.26
    tert-butylamine 0.58
    n-dodecanol 0.3
    dimethoxymethane 16.75
    ethylene carbonate 18.84
    cyrene 17.97
    2-ethoxyethyl acetate 6.67
    2-ethylhexyl acetate 3.24
    1,2,4-trichlorobenzene 17.91
    4-methylpyridine 26.64
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.38
    DEF 18.37
    dimethyl isosorbide 15.15
    tetrachloroethylene 29.92
    eugenol 8.38
    triacetin 6.61
    span 80 3.88
    1,4-butanediol 2.14
    1,1-dichloroethane 16.14
    2-methyl-1-pentanol 1.72
    methyl formate 27.36
    2-methyl-1-butanol 1.72
    n-decane 0.04
    butyronitrile 7.12
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.3
    1-chlorotetradecane 0.17
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.05
    cyclopentanol 4.48
    tetrahydropyran 6.8
    tert-amyl methyl ether 1.61
    2,5,8-trioxanonane 11.88
    1-hexene 0.43
    2-isopropoxyethanol 5.19
    2,2,2-trifluoroethanol 23.18
    methyl butyrate 10.53

    Scent© AI

1 of 4
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