Propoxycarbazone-sodium

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  • Identifiers

    CAS number
    181274-15-7

    Molecular formula
    C15H17N4NaO7S

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 71.56%
    Grape 26.11%
    Fruity 23.06%
    Cooked 20.58%
    Roasted 17.8%
    Bitter 17.47%
    Savory 16.13%
    Cooling 15.02%
    Milky 14.59%
    Burnt 14.06%

     

    Flavor
    Bitter 83.33%
    Odorless 33.2%
    Bland 24.11%
    Nitrile 18.99%
    Taco 18.31%
    Bread crust 18.23%
    Broom 18.16%
    Cedarleaf 18.14%
    Very mild 18.1%
    Roasted peanuts 18.03%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.33 (weak acid)

    Molecular weight
    420.4 g/mol

    Melting point expt.

    • 230-240 °C (decomposes)

    Flash point

    • 224.04 ˚C est.

    Solubility expt.

    • In dichloromethane 1.5, n-heptane, xylene and isopropanol <0.1 (all in g/L, 20 °C)
    • In water (g/L, 20 °C): 2.9 (pH 4); 42.0 (pH 7, pH 9)

  • Synonyms

    • Propoxycarbazone-sodium
    • 181274-15-7
    • Propoxycarbazone sodium salt
    • Procarbazone sodium
    • Propoxycarbazone sodium
    • DTXSID9034864
    • Propoxycarbazone-sodium [ISO]
    • sodium;(2-methoxycarbonylphenyl)sulfonyl-(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)azanide
    • Procarbazonesodium
    • B7Z8Z1D27B
    • ATTRIBUT
    • 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
    • Propoxycarbazone (sodium)
    • sodium {[2-(methoxycarbonyl)phenyl]sulfonyl}[(4-methyl-5-oxo-3-propoxy-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]azanide
    • PROPOXYCARBAZONE-NA
    • Propoxycarbazone sodium 10 microg/mL in Acetonitrile
    • BAY-MKH-6561
    • Propoxycarbazone sodium 100 microg/mL in Acetonitrile
    • CHEMBL3183019
    • DTXCID7014864
    • PROCARBAZONE SODIUM [HSDB]
    • MKH-6561
    • Tox21_301132
    • HY-W714171
    • NCGC00255031-01
    • PROPOXYCARBAZONE SODIUM SALT [MI]
    • CAS-181274-15-7
    • NS00096375
    • Q27274480
    • Propoxycarbazone sodium salt, PESTANAL(R), analytical standard
    • 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 (CAS 181274-15-7) is primarily used as an intermediate in the synthesis of agrochemical and specialty organic compounds. It is commonly evaluated as a potential herbicide safener or as an active component in crop-protection formulations. The sodium salt can act as a chelating or complexing agent in specialized formulations and may serve as a processing aid or stabilizer in polymers, coatings, and inks. In research and development, it is considered a building block for the preparation of related carbazone-based compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.28
    methanol 4.6
    isopropanol 1.43
    water 0.12
    ethyl acetate 12.2
    n-propanol 2.17
    acetone 28.02
    n-butanol 1.75
    acetonitrile 22.5
    DMF 50.67
    toluene 2.3
    isobutanol 1.36
    1,4-dioxane 14.03
    methyl acetate 24.19
    THF 26.15
    2-butanone 22.36
    n-pentanol 1.56
    sec-butanol 1.82
    n-hexane 0.04
    ethylene glycol 1.74
    NMP 143.94
    cyclohexane 0.13
    DMSO 71.54
    n-butyl acetate 6.05
    n-octanol 0.38
    chloroform 32.88
    n-propyl acetate 7.09
    acetic acid 29.52
    dichloromethane 46.4
    cyclohexanone 31.84
    propylene glycol 1.42
    isopropyl acetate 4.72
    DMAc 119.28
    2-ethoxyethanol 10.17
    isopentanol 1.6
    n-heptane 0.04
    ethyl formate 13.55
    1,2-dichloroethane 24.98
    n-hexanol 1.26
    2-methoxyethanol 16.66
    isobutyl acetate 2.27
    tetrachloromethane 2.13
    n-pentyl acetate 3.02
    transcutol 6.99
    n-heptanol 0.75
    ethylbenzene 1.07
    MIBK 3.64
    2-propoxyethanol 9.66
    tert-butanol 1.5
    MTBE 1.35
    2-butoxyethanol 5.42
    propionic acid 9.95
    o-xylene 1.62
    formic acid 23.09
    diethyl ether 2.24
    m-xylene 0.91
    p-xylene 1.93
    chlorobenzene 7.88
    dimethyl carbonate 13.97
    n-octane 0.02
    formamide 43.68
    cyclopentanone 47.96
    2-pentanone 9.8
    anisole 4.72
    cyclopentyl methyl ether 3.83
    gamma-butyrolactone 64.3
    1-methoxy-2-propanol 7.54
    pyridine 34.43
    3-pentanone 10.05
    furfural 62.07
    n-dodecane 0.02
    diethylene glycol 9.83
    diisopropyl ether 0.31
    tert-amyl alcohol 2.01
    acetylacetone 19.6
    n-hexadecane 0.03
    acetophenone 12.04
    methyl propionate 13.79
    isopentyl acetate 4.31
    trichloroethylene 76.39
    n-nonanol 0.47
    cyclohexanol 2.37
    benzyl alcohol 7.45
    2-ethylhexanol 0.86
    isooctanol 0.58
    dipropyl ether 1.05
    1,2-dichlorobenzene 8.1
    ethyl lactate 5.8
    propylene carbonate 26.66
    n-methylformamide 23.83
    2-pentanol 0.84
    n-pentane 0.04
    1-propoxy-2-propanol 4.31
    1-methoxy-2-propyl acetate 7.65
    2-(2-methoxypropoxy) propanol 6.72
    mesitylene 0.43
    ε-caprolactone 28.13
    p-cymene 0.71
    epichlorohydrin 60.73
    1,1,1-trichloroethane 12.58
    2-aminoethanol 2.55
    morpholine-4-carbaldehyde 55.81
    sulfolane 90.62
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 12.17
    n-hexyl acetate 2.39
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.0
    sec-butyl acetate 3.18
    tert-butyl acetate 3.67
    decalin 0.07
    glycerin 5.27
    diglyme 14.45
    acrylic acid 16.89
    isopropyl myristate 1.0
    n-butyric acid 9.62
    acetyl acetate 12.21
    di(2-ethylhexyl) phthalate 3.3
    ethyl propionate 7.28
    nitromethane 102.68
    1,2-diethoxyethane 2.84
    benzonitrile 13.08
    trioctyl phosphate 1.59
    1-bromopropane 3.99
    gamma-valerolactone 67.25
    n-decanol 0.37
    triethyl phosphate 4.42
    4-methyl-2-pentanol 0.5
    propionitrile 9.23
    vinylene carbonate 29.93
    1,1,2-trichlorotrifluoroethane 57.62
    DMS 8.52
    cumene 0.61
    2-octanol 0.37
    2-hexanone 7.43
    octyl acetate 1.7
    limonene 0.85
    1,2-dimethoxyethane 18.36
    ethyl orthosilicate 3.06
    tributyl phosphate 2.12
    diacetone alcohol 7.61
    N,N-dimethylaniline 2.93
    acrylonitrile 20.69
    aniline 6.17
    1,3-propanediol 4.36
    bromobenzene 6.61
    dibromomethane 16.57
    1,1,2,2-tetrachloroethane 40.3
    2-methyl-cyclohexyl acetate 4.65
    tetrabutyl urea 4.08
    diisobutyl methanol 0.38
    2-phenylethanol 6.31
    styrene 1.66
    dioctyl adipate 3.16
    dimethyl sulfate 38.03
    ethyl butyrate 5.27
    methyl lactate 11.27
    butyl lactate 3.23
    diethyl carbonate 5.36
    propanediol butyl ether 2.48
    triethyl orthoformate 3.55
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 6.72
    morpholine 17.82
    tert-butylamine 0.5
    n-dodecanol 0.29
    dimethoxymethane 16.42
    ethylene carbonate 19.72
    cyrene 19.9
    2-ethoxyethyl acetate 6.94
    2-ethylhexyl acetate 3.59
    1,2,4-trichlorobenzene 15.3
    4-methylpyridine 24.9
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.38
    DEF 18.93
    dimethyl isosorbide 15.62
    tetrachloroethylene 21.85
    eugenol 8.02
    triacetin 6.64
    span 80 3.8
    1,4-butanediol 2.14
    1,1-dichloroethane 11.45
    2-methyl-1-pentanol 1.72
    methyl formate 25.6
    2-methyl-1-butanol 1.72
    n-decane 0.04
    butyronitrile 6.62
    3,7-dimethyl-1-octanol 0.46
    1-chlorooctane 0.26
    1-chlorotetradecane 0.15
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 4.16
    tetrahydropyran 6.27
    tert-amyl methyl ether 1.62
    2,5,8-trioxanonane 11.53
    1-hexene 0.34
    2-isopropoxyethanol 5.39
    2,2,2-trifluoroethanol 21.5
    methyl butyrate 10.9

    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