Propoxycarbazone sodium
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Identifiers
Molecular formula
C15H17N4NaO7SSMILES
CCCOC1=NN(C(=O)N1C)/C(=N/S(=O)(=O)C2=CC=CC=C2C(=O)OC)/[O-].[Na+]
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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/molFlash point
- 207.89 ˚C est.
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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
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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
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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
| 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 |