ZINC;1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate

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  • Identifiers

    CAS number
    9000-07-1

    Molecular formula
    C23H23FN4O7Zn

    SMILES
    CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)O.CC(=O)[O-].CC(=O)[O-].[Zn+2]

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  • Odor profile

    Fragrance
    Odorless 71.59%
    Savory 33.05%
    Meaty 25.6%
    Cooling 23.03%
    Roasted 22.17%
    Cooked 21.95%
    Milky 20.61%
    Bitter 19.01%
    Burnt 17.17%
    Animal 16.19%

     

    Flavor
    Bitter 94.16%
    Odorless 42.76%
    Bland 27.14%
    Sweet-like 19.99%
    Nitrile 18.85%
    Cedarleaf 18.56%
    Very strong 17.61%
    Indole 17.38%
    Mild 17.23%
    Orange flower 17.19%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    7.77 (neutral)

    Molecular weight
    551.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1243°C

    Flash point

    • 233.1 ˚C est.

    Solubility expt.

    • GENERALLY IT IS NECESSARY TO HEAT MOST CARRAGEENAN SOLUTIONS TO ATTAIN COMPLETE SOLUBILITY
    • GENERALLY INSOL IN OILS & ORG SOLVENTS; SOL IN ANHYDROUS HYDRAZINE; SPARINGLY SOL IN FORMAMIDE, METHYL SULFOXIDE; INSOL IN N,N-DIMETHYLFORMAMIDE
    • 1 G DISSOLVES IN 100 ML WATER @ ABOUT 80 °C; INSOL IN ETHANOL
    • Soluble in water forming viscous solutions

  • Synonyms

    • 9000-07-1
    • FC166779
    • G72751
    • 9000-07-1

  • Applications

    Chemical name: ZINC;1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate (CAS 9000-07-1) is primarily evaluated as an intermediate and reagent in pharmaceutical R&D, where it can serve as a building block for multi-step syntheses. It is often used as a catalyst or ligand in organic transformations during synthetic chemistry. In polymers and coatings, the zinc component may act as a stabilizer or crosslinking partner, contributing to thermal stability and film properties. It can also be considered as a metal-containing additive for specialized coatings and inks, and in electronics/optoelectronics research as a functional complex material, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.94
    methanol 7.54
    isopropanol 1.97
    water 0.03
    ethyl acetate 4.12
    n-propanol 3.39
    acetone 13.87
    n-butanol 2.6
    acetonitrile 6.72
    DMF 30.36
    toluene 0.34
    isobutanol 1.68
    1,4-dioxane 4.74
    methyl acetate 7.66
    THF 13.88
    2-butanone 17.49
    n-pentanol 2.16
    sec-butanol 2.22
    n-hexane 0.01
    ethylene glycol 3.27
    NMP 37.99
    cyclohexane 0.01
    DMSO 71.62
    n-butyl acetate 3.07
    n-octanol 0.4
    chloroform 3.58
    n-propyl acetate 3.29
    acetic acid 18.35
    dichloromethane 4.78
    cyclohexanone 17.49
    propylene glycol 4.3
    isopropyl acetate 1.94
    DMAc 64.18
    2-ethoxyethanol 11.91
    isopentanol 1.76
    n-heptane 0.01
    ethyl formate 6.53
    1,2-dichloroethane 3.0
    n-hexanol 1.26
    2-methoxyethanol 20.28
    isobutyl acetate 1.32
    tetrachloromethane 0.28
    n-pentyl acetate 1.94
    transcutol 10.46
    n-heptanol 0.87
    ethylbenzene 0.22
    MIBK 2.38
    2-propoxyethanol 10.41
    tert-butanol 1.48
    MTBE 0.63
    2-butoxyethanol 6.21
    propionic acid 8.8
    o-xylene 0.23
    formic acid 18.61
    diethyl ether 0.77
    m-xylene 0.16
    p-xylene 0.34
    chlorobenzene 0.89
    dimethyl carbonate 4.24
    n-octane 0.01
    formamide 27.81
    cyclopentanone 23.48
    2-pentanone 6.59
    anisole 1.5
    cyclopentyl methyl ether 1.03
    gamma-butyrolactone 21.6
    1-methoxy-2-propanol 10.28
    pyridine 8.54
    3-pentanone 4.67
    furfural 22.73
    n-dodecane 0.01
    diethylene glycol 12.85
    diisopropyl ether 0.11
    tert-amyl alcohol 1.69
    acetylacetone 9.86
    n-hexadecane 0.01
    acetophenone 3.52
    methyl propionate 5.19
    isopentyl acetate 2.49
    trichloroethylene 7.86
    n-nonanol 0.51
    cyclohexanol 1.3
    benzyl alcohol 3.22
    2-ethylhexanol 0.7
    isooctanol 0.64
    dipropyl ether 0.66
    1,2-dichlorobenzene 0.91
    ethyl lactate 4.58
    propylene carbonate 7.9
    n-methylformamide 17.95
    2-pentanol 0.84
    n-pentane 0.01
    1-propoxy-2-propanol 5.25
    1-methoxy-2-propyl acetate 5.08
    2-(2-methoxypropoxy) propanol 6.53
    mesitylene 0.08
    ε-caprolactone 12.06
    p-cymene 0.22
    epichlorohydrin 18.9
    1,1,1-trichloroethane 1.48
    2-aminoethanol 5.6
    morpholine-4-carbaldehyde 22.92
    sulfolane 39.48
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.68
    n-hexyl acetate 1.83
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.16
    sec-butyl acetate 1.57
    tert-butyl acetate 1.75
    decalin 0.01
    glycerin 12.09
    diglyme 12.91
    acrylic acid 12.02
    isopropyl myristate 0.73
    n-butyric acid 8.19
    acetyl acetate 3.16
    di(2-ethylhexyl) phthalate 2.06
    ethyl propionate 2.97
    nitromethane 40.94
    1,2-diethoxyethane 2.23
    benzonitrile 3.64
    trioctyl phosphate 1.16
    1-bromopropane 0.87
    gamma-valerolactone 41.41
    n-decanol 0.39
    triethyl phosphate 2.07
    4-methyl-2-pentanol 0.47
    propionitrile 4.59
    vinylene carbonate 8.62
    1,1,2-trichlorotrifluoroethane 26.25
    DMS 3.03
    cumene 0.15
    2-octanol 0.38
    2-hexanone 5.38
    octyl acetate 1.24
    limonene 0.29
    1,2-dimethoxyethane 13.26
    ethyl orthosilicate 1.56
    tributyl phosphate 1.48
    diacetone alcohol 6.02
    N,N-dimethylaniline 0.91
    acrylonitrile 8.91
    aniline 1.81
    1,3-propanediol 8.46
    bromobenzene 0.6
    dibromomethane 1.94
    1,1,2,2-tetrachloroethane 5.55
    2-methyl-cyclohexyl acetate 2.28
    tetrabutyl urea 2.64
    diisobutyl methanol 0.34
    2-phenylethanol 2.98
    styrene 0.3
    dioctyl adipate 2.25
    dimethyl sulfate 11.34
    ethyl butyrate 2.88
    methyl lactate 8.85
    butyl lactate 3.34
    diethyl carbonate 2.49
    propanediol butyl ether 4.16
    triethyl orthoformate 2.15
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 3.7
    morpholine 8.51
    tert-butylamine 0.35
    n-dodecanol 0.27
    dimethoxymethane 9.16
    ethylene carbonate 5.89
    cyrene 10.97
    2-ethoxyethyl acetate 4.24
    2-ethylhexyl acetate 1.84
    1,2,4-trichlorobenzene 1.69
    4-methylpyridine 5.15
    dibutyl ether 0.44
    2,6-dimethyl-4-heptanol 0.34
    DEF 7.49
    dimethyl isosorbide 9.42
    tetrachloroethylene 2.76
    eugenol 5.22
    triacetin 4.15
    span 80 4.23
    1,4-butanediol 3.84
    1,1-dichloroethane 1.81
    2-methyl-1-pentanol 1.78
    methyl formate 12.02
    2-methyl-1-butanol 1.89
    n-decane 0.01
    butyronitrile 3.85
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.12
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 2.31
    tetrahydropyran 2.24
    tert-amyl methyl ether 0.73
    2,5,8-trioxanonane 9.94
    1-hexene 0.13
    2-isopropoxyethanol 5.45
    2,2,2-trifluoroethanol 8.87
    methyl butyrate 4.96

    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