(E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]cyclohexyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt

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  • Identifiers

    CAS number
    85085-25-2

    Molecular formula
    C18H26CoN2O4

    SMILES
    CC(=C(C=NC1CCCCC1N=CC(=C(C)O)C(=O)C)C(=O)C)O.[Co]

    Safety labels

  • Odor profile

    Fragrance
    Roasted 38.12%
    Nutty 33.42%
    Popcorn 29.27%
    Meaty 26.82%
    Sweet 24.86%
    Odorless 22.59%
    Caramellic 22.1%
    Burnt 21.37%
    Woody 21.29%
    Cooked 20.6%

     

    Flavor
    Odorless 29.12%
    Bitter 27.12%
    Nutty 25.85%
    Roasted 24.21%
    Taco 21.7%
    Very mild 21.48%
    Bread crust 21.29%
    Cooked 21.21%
    Orange flower 19.92%
    Roasted peanuts 19.91%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.3 (neutral)

    Molecular weight
    393.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    451°C

    Flash point

    • 217.75 ˚C est.

  • Synonyms

    • (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]cyclohexyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt
    • 85085-25-2
    • 72030-25-2
    • 85085-25-2

  • Applications

    Compound (E)-3-[[(1S,2S)-2-[[(E)-2-acetyl-3-hydroxybut-2-enylidene]amino]cyclohexyl]iminomethyl]-4-hydroxypent-3-en-2-one;cobalt (CAS number: 85085-25-2) is a cobalt-containing Schiff-base complex that is used as a catalyst or catalyst precursor in industrial manufacturing for oxidation and polymerization processes; it may serve as a chelating ligand to stabilize metal ions in formulations; it can function as a colorant or color precursor for coatings, inks, and paints; it is commonly evaluated as an intermediate or ligand in pharmaceutical research and synthetic chemistry to support the design of complex molecules; and it is explored in coordination chemistry R&D to study catalytic mechanisms and develop new catalytic systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.2
    methanol 15.74
    isopropanol 13.45
    water 0.02
    ethyl acetate 33.66
    n-propanol 18.32
    acetone 78.22
    n-butanol 18.89
    acetonitrile 21.15
    DMF 199.08
    toluene 34.04
    isobutanol 15.76
    1,4-dioxane 52.9
    methyl acetate 39.01
    THF 314.89
    2-butanone 65.83
    n-pentanol 17.85
    sec-butanol 19.71
    n-hexane 3.12
    ethylene glycol 2.38
    NMP 335.5
    cyclohexane 3.9
    DMSO 268.81
    n-butyl acetate 26.32
    n-octanol 4.61
    chloroform 305.25
    n-propyl acetate 23.75
    acetic acid 58.95
    dichloromethane 251.91
    cyclohexanone 129.48
    propylene glycol 9.07
    isopropyl acetate 23.98
    DMAc 289.03
    2-ethoxyethanol 35.52
    isopentanol 18.87
    n-heptane 1.07
    ethyl formate 23.37
    1,2-dichloroethane 135.86
    n-hexanol 14.01
    2-methoxyethanol 54.1
    isobutyl acetate 15.29
    tetrachloromethane 23.55
    n-pentyl acetate 14.77
    transcutol 120.35
    n-heptanol 5.97
    ethylbenzene 14.72
    MIBK 29.45
    2-propoxyethanol 47.98
    tert-butanol 22.05
    MTBE 17.03
    2-butoxyethanol 23.06
    propionic acid 35.04
    o-xylene 20.92
    formic acid 19.13
    diethyl ether 20.73
    m-xylene 19.59
    p-xylene 19.32
    chlorobenzene 52.17
    dimethyl carbonate 30.2
    n-octane 0.38
    formamide 36.6
    cyclopentanone 231.86
    2-pentanone 52.23
    anisole 30.16
    cyclopentyl methyl ether 81.92
    gamma-butyrolactone 225.31
    1-methoxy-2-propanol 53.54
    pyridine 85.11
    3-pentanone 48.6
    furfural 137.23
    n-dodecane 0.26
    diethylene glycol 29.22
    diisopropyl ether 5.83
    tert-amyl alcohol 22.99
    acetylacetone 72.66
    n-hexadecane 0.31
    acetophenone 43.79
    methyl propionate 47.39
    isopentyl acetate 25.1
    trichloroethylene 321.24
    n-nonanol 5.46
    cyclohexanol 34.41
    benzyl alcohol 31.07
    2-ethylhexanol 9.93
    isooctanol 5.88
    dipropyl ether 12.45
    1,2-dichlorobenzene 51.04
    ethyl lactate 21.71
    propylene carbonate 83.55
    n-methylformamide 51.84
    2-pentanol 13.68
    n-pentane 2.05
    1-propoxy-2-propanol 34.04
    1-methoxy-2-propyl acetate 44.45
    2-(2-methoxypropoxy) propanol 42.72
    mesitylene 9.54
    ε-caprolactone 101.13
    p-cymene 7.13
    epichlorohydrin 237.2
    1,1,1-trichloroethane 99.87
    2-aminoethanol 8.47
    morpholine-4-carbaldehyde 152.73
    sulfolane 378.59
    2,2,4-trimethylpentane 1.57
    2-methyltetrahydrofuran 124.07
    n-hexyl acetate 20.05
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 40.76
    sec-butyl acetate 17.37
    tert-butyl acetate 29.16
    decalin 2.76
    glycerin 18.73
    diglyme 82.01
    acrylic acid 40.0
    isopropyl myristate 7.27
    n-butyric acid 43.51
    acetyl acetate 27.62
    di(2-ethylhexyl) phthalate 14.64
    ethyl propionate 26.42
    nitromethane 117.6
    1,2-diethoxyethane 23.61
    benzonitrile 30.96
    trioctyl phosphate 8.21
    1-bromopropane 56.31
    gamma-valerolactone 195.2
    n-decanol 3.9
    triethyl phosphate 19.55
    4-methyl-2-pentanol 9.12
    propionitrile 20.96
    vinylene carbonate 64.79
    1,1,2-trichlorotrifluoroethane 174.18
    DMS 30.53
    cumene 9.69
    2-octanol 3.62
    2-hexanone 33.63
    octyl acetate 10.28
    limonene 11.24
    1,2-dimethoxyethane 66.62
    ethyl orthosilicate 17.14
    tributyl phosphate 12.75
    diacetone alcohol 47.19
    N,N-dimethylaniline 26.21
    acrylonitrile 31.18
    aniline 46.14
    1,3-propanediol 16.0
    bromobenzene 56.47
    dibromomethane 157.87
    1,1,2,2-tetrachloroethane 257.06
    2-methyl-cyclohexyl acetate 28.05
    tetrabutyl urea 18.79
    diisobutyl methanol 5.9
    2-phenylethanol 27.71
    styrene 17.84
    dioctyl adipate 17.85
    dimethyl sulfate 91.1
    ethyl butyrate 23.18
    methyl lactate 37.79
    butyl lactate 20.14
    diethyl carbonate 17.67
    propanediol butyl ether 21.79
    triethyl orthoformate 20.17
    p-tert-butyltoluene 6.78
    methyl 4-tert-butylbenzoate 34.46
    morpholine 91.49
    tert-butylamine 11.36
    n-dodecanol 2.77
    dimethoxymethane 74.23
    ethylene carbonate 50.29
    cyrene 63.42
    2-ethoxyethyl acetate 26.16
    2-ethylhexyl acetate 21.34
    1,2,4-trichlorobenzene 71.52
    4-methylpyridine 84.99
    dibutyl ether 7.6
    2,6-dimethyl-4-heptanol 5.9
    DEF 70.23
    dimethyl isosorbide 95.59
    tetrachloroethylene 127.17
    eugenol 33.36
    triacetin 33.53
    span 80 29.86
    1,4-butanediol 7.15
    1,1-dichloroethane 104.84
    2-methyl-1-pentanol 18.55
    methyl formate 40.76
    2-methyl-1-butanol 21.07
    n-decane 0.51
    butyronitrile 21.71
    3,7-dimethyl-1-octanol 6.94
    1-chlorooctane 3.68
    1-chlorotetradecane 1.36
    n-nonane 0.44
    undecane 0.35
    tert-butylcyclohexane 2.06
    cyclooctane 1.21
    cyclopentanol 48.6
    tetrahydropyran 71.08
    tert-amyl methyl ether 20.34
    2,5,8-trioxanonane 61.11
    1-hexene 12.57
    2-isopropoxyethanol 25.84
    2,2,2-trifluoroethanol 30.14
    methyl butyrate 36.27

    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