Sodium (pyridazin-3-yl)acetate

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  • Identifiers

    CAS number
    6159-49-5

    Molecular formula
    C6H5N2NaO2

    SMILES
    C1=CC(=NN=C1)CC(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.81%
    Nutty 47.81%
    Roasted 44.93%
    Popcorn 32.38%
    Meaty 29.34%
    Cooked 28.69%
    Burnt 26.8%
    Savory 24.68%
    Cocoa 23.99%
    Caramellic 23.55%

     

    Flavor
    Nutty 49.84%
    Odorless 46.65%
    Popcorn 33.02%
    Roasted 31.79%
    Mild 30.32%
    Roast 29.52%
    Musty 28.11%
    Sour 26.39%
    Hazelnut 25.5%
    Chip 24.93%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    3.55 (weak acid)

    Molecular weight
    160.11 g/mol

    Flash point

    • 116.64 ˚C est.

  • Synonyms

    • 6159-49-5
    • Sodium (pyridazin-3-yl)acetate
    • DTXSID70680550
    • RefChem:380598
    • DTXCID20631299
    • sodium 2-(pyridazin-3-yl)acetate
    • 1378372-16-7
    • sodium;2-pyridazin-3-ylacetate
    • 2-Pyridazin-3-ylacetic acid sodium salt
    • sodium2-(pyridazin-3-yl)acetate
    • AKOS022176736
    • CS-0184648
    • EN300-223326
    • 6159-49-5

  • Applications

    Primarily used as a chemical intermediate in the synthesis of heteroaromatic compounds containing a pyridazine moiety. In pharmaceuticals, it serves as a building block for drug-like molecules bearing the pyridazine group. In agrochemical development, it is evaluated as an intermediate for the preparation of heteroaromatic active ingredients. In chemical research and development, it provides a versatile starting material for coupling reactions and functionalization to introduce the pyridazine-3-ylacetate fragment. As the sodium salt, it offers improved water solubility, which can facilitate aqueous or semi-aqueous synthesis and formulation steps in synthetic workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.66
    methanol 38.58
    isopropanol 8.82
    water 7.97
    ethyl acetate 26.64
    n-propanol 10.51
    acetone 43.53
    n-butanol 8.15
    acetonitrile 29.79
    DMF 191.57
    toluene 2.11
    isobutanol 7.6
    1,4-dioxane 42.58
    methyl acetate 41.42
    THF 53.65
    2-butanone 28.6
    n-pentanol 7.07
    sec-butanol 7.33
    n-hexane 0.17
    ethylene glycol 23.23
    NMP 254.75
    cyclohexane 0.13
    DMSO 173.99
    n-butyl acetate 14.83
    n-octanol 4.87
    chloroform 2.58
    n-propyl acetate 16.46
    acetic acid 34.47
    dichloromethane 7.87
    cyclohexanone 28.59
    propylene glycol 14.14
    isopropyl acetate 12.96
    DMAc 236.55
    2-ethoxyethanol 41.22
    isopentanol 9.13
    n-heptane 0.39
    ethyl formate 27.45
    1,2-dichloroethane 8.71
    n-hexanol 5.57
    2-methoxyethanol 85.37
    isobutyl acetate 8.63
    tetrachloromethane 0.55
    n-pentyl acetate 7.83
    transcutol 153.16
    n-heptanol 3.8
    ethylbenzene 2.3
    MIBK 11.42
    2-propoxyethanol 32.85
    tert-butanol 12.82
    MTBE 7.18
    2-butoxyethanol 18.13
    propionic acid 23.93
    o-xylene 4.04
    formic acid 48.61
    diethyl ether 7.5
    m-xylene 2.81
    p-xylene 3.35
    chlorobenzene 3.7
    dimethyl carbonate 35.74
    n-octane 0.16
    formamide 85.07
    cyclopentanone 49.19
    2-pentanone 18.34
    anisole 16.68
    cyclopentyl methyl ether 15.78
    gamma-butyrolactone 89.31
    1-methoxy-2-propanol 43.32
    pyridine 20.88
    3-pentanone 16.86
    furfural 91.17
    n-dodecane 0.29
    diethylene glycol 50.92
    diisopropyl ether 2.27
    tert-amyl alcohol 10.58
    acetylacetone 38.5
    n-hexadecane 0.32
    acetophenone 24.48
    methyl propionate 35.53
    isopentyl acetate 13.63
    trichloroethylene 12.24
    n-nonanol 4.92
    cyclohexanol 6.62
    benzyl alcohol 15.82
    2-ethylhexanol 5.2
    isooctanol 3.68
    dipropyl ether 6.91
    1,2-dichlorobenzene 6.54
    ethyl lactate 19.5
    propylene carbonate 47.67
    n-methylformamide 82.22
    2-pentanol 4.5
    n-pentane 0.16
    1-propoxy-2-propanol 20.8
    1-methoxy-2-propyl acetate 29.94
    2-(2-methoxypropoxy) propanol 40.3
    mesitylene 2.3
    ε-caprolactone 39.96
    p-cymene 3.78
    epichlorohydrin 63.34
    1,1,1-trichloroethane 3.89
    2-aminoethanol 23.07
    morpholine-4-carbaldehyde 177.49
    sulfolane 111.01
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 27.74
    n-hexyl acetate 11.54
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 44.16
    sec-butyl acetate 10.32
    tert-butyl acetate 15.24
    decalin 0.47
    glycerin 37.44
    diglyme 82.98
    acrylic acid 30.34
    isopropyl myristate 6.33
    n-butyric acid 18.03
    acetyl acetate 22.43
    di(2-ethylhexyl) phthalate 11.15
    ethyl propionate 19.59
    nitromethane 125.97
    1,2-diethoxyethane 22.09
    benzonitrile 16.67
    trioctyl phosphate 6.67
    1-bromopropane 2.51
    gamma-valerolactone 98.6
    n-decanol 4.07
    triethyl phosphate 14.36
    4-methyl-2-pentanol 3.74
    propionitrile 16.09
    vinylene carbonate 42.07
    1,1,2-trichlorotrifluoroethane 47.88
    DMS 29.79
    cumene 2.82
    2-octanol 2.46
    2-hexanone 13.26
    octyl acetate 8.4
    limonene 4.45
    1,2-dimethoxyethane 70.11
    ethyl orthosilicate 11.53
    tributyl phosphate 10.2
    diacetone alcohol 29.55
    N,N-dimethylaniline 15.69
    acrylonitrile 29.01
    aniline 8.18
    1,3-propanediol 27.51
    bromobenzene 2.48
    dibromomethane 3.01
    1,1,2,2-tetrachloroethane 9.25
    2-methyl-cyclohexyl acetate 14.25
    tetrabutyl urea 16.53
    diisobutyl methanol 3.97
    2-phenylethanol 12.15
    styrene 2.62
    dioctyl adipate 14.71
    dimethyl sulfate 80.62
    ethyl butyrate 15.75
    methyl lactate 35.11
    butyl lactate 13.23
    diethyl carbonate 16.64
    propanediol butyl ether 22.25
    triethyl orthoformate 14.42
    p-tert-butyltoluene 3.27
    methyl 4-tert-butylbenzoate 22.34
    morpholine 49.1
    tert-butylamine 4.81
    n-dodecanol 3.29
    dimethoxymethane 69.17
    ethylene carbonate 33.37
    cyrene 48.86
    2-ethoxyethyl acetate 20.78
    2-ethylhexyl acetate 10.69
    1,2,4-trichlorobenzene 9.89
    4-methylpyridine 22.98
    dibutyl ether 5.86
    2,6-dimethyl-4-heptanol 3.97
    DEF 48.65
    dimethyl isosorbide 64.98
    tetrachloroethylene 5.22
    eugenol 24.75
    triacetin 29.43
    span 80 21.18
    1,4-butanediol 12.59
    1,1-dichloroethane 3.78
    2-methyl-1-pentanol 8.21
    methyl formate 66.86
    2-methyl-1-butanol 8.5
    n-decane 0.37
    butyronitrile 11.58
    3,7-dimethyl-1-octanol 5.85
    1-chlorooctane 1.71
    1-chlorotetradecane 1.07
    n-nonane 0.29
    undecane 0.33
    tert-butylcyclohexane 0.47
    cyclooctane 0.1
    cyclopentanol 10.56
    tetrahydropyran 11.64
    tert-amyl methyl ether 8.6
    2,5,8-trioxanonane 70.95
    1-hexene 0.89
    2-isopropoxyethanol 23.37
    2,2,2-trifluoroethanol 29.75
    methyl butyrate 24.17

    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