Boviquinone 4

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  • Identifiers

    CAS number
    28129-52-4

    Molecular formula
    C26H36O4

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=O)C=C(C1=O)O)O)/C)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 52.36%
    Fruity 48.67%
    Sweet 47.82%
    Woody 41.46%
    Waxy 37.28%
    Citrus 36.05%
    Balsamic 31.18%
    Fresh 30.05%
    Oily 29.31%
    Green 27.85%

     

    Flavor
    Herbal 43.98%
    Spicy 35.64%
    Woody 33.75%
    Balsam 26.87%
    Bitter 24.89%
    Fresh 24.55%
    Wood 23.69%
    Floral 23.6%
    Spice 23.44%
    Balsamic 23.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.84 (neutral)

    Molecular weight
    412.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    474°C

    Melting point expt.

    • 84 - 85 °C

    Flash point

    • 222.33 ˚C est.

  • Synonyms

    • Boviquinone 4
    • Bovinone
    • 28129-52-4
    • Boviquinone-4
    • 2,5-Dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2,5-cyclohexadiene-1,4-dione
    • Bovinon
    • TFA3BH8YTC
    • CHEBI:176033
    • DTXSID501109434
    • 2,5-dihydroxy-3-geranylgeranyl-1,4-benzoquinone
    • 3-Geranylgeranyl-2,5-dihydroxy-1,4-benzoquinone
    • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
    • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-
    • 2,5-dihydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
    • p-Benzoquinone, 2,5-dihydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-
    • 28129-52-4

  • Applications

    Boviquinone 4 (CAS 28129-52-4) is a redox-active quinone used primarily as an organic synthesis intermediate and building block for a range of quinone derivatives. In the plastics and coatings sector, it is often employed as a redox-active stabilizer or processing aid, and can serve as an intermediate in related reaction sequences. In pharmaceutical research and related chemistry, it is used as a building block or test reagent for the development of compounds and for electrochemical studies. Additionally, Boviquinone 4 is investigated for electrochemical and analytical applications, where its redox properties support sensor and measurement device research. Regulation and formulation limits will determine its practical scope of use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.73
    methanol 6.79
    isopropanol 4.24
    water 0.01
    ethyl acetate 19.25
    n-propanol 9.89
    acetone 13.48
    n-butanol 9.9
    acetonitrile 2.24
    DMF 29.5
    toluene 12.03
    isobutanol 5.69
    1,4-dioxane 24.29
    methyl acetate 14.37
    THF 118.65
    2-butanone 32.96
    n-pentanol 11.85
    sec-butanol 10.95
    n-hexane 1.39
    ethylene glycol 0.21
    NMP 68.48
    cyclohexane 1.18
    DMSO 22.62
    n-butyl acetate 14.69
    n-octanol 4.67
    chloroform 48.31
    n-propyl acetate 16.44
    acetic acid 8.96
    dichloromethane 40.91
    cyclohexanone 42.87
    propylene glycol 1.24
    isopropyl acetate 14.14
    DMAc 109.46
    2-ethoxyethanol 23.62
    isopentanol 8.84
    n-heptane 0.66
    ethyl formate 5.61
    1,2-dichloroethane 22.67
    n-hexanol 8.43
    2-methoxyethanol 18.53
    isobutyl acetate 10.64
    tetrachloromethane 5.23
    n-pentyl acetate 16.97
    transcutol 94.75
    n-heptanol 6.9
    ethylbenzene 8.8
    MIBK 14.52
    2-propoxyethanol 25.19
    tert-butanol 7.62
    MTBE 18.98
    2-butoxyethanol 22.53
    propionic acid 7.01
    o-xylene 8.83
    formic acid 1.89
    diethyl ether 16.38
    m-xylene 7.49
    p-xylene 9.67
    chlorobenzene 12.2
    dimethyl carbonate 7.57
    n-octane 0.37
    formamide 3.96
    cyclopentanone 48.55
    2-pentanone 23.35
    anisole 23.18
    cyclopentyl methyl ether 33.96
    gamma-butyrolactone 40.35
    1-methoxy-2-propanol 21.55
    pyridine 30.23
    3-pentanone 22.86
    furfural 24.8
    n-dodecane 0.19
    diethylene glycol 5.55
    diisopropyl ether 4.07
    tert-amyl alcohol 16.18
    acetylacetone 20.54
    n-hexadecane 0.22
    acetophenone 23.8
    methyl propionate 19.34
    isopentyl acetate 17.23
    trichloroethylene 58.87
    n-nonanol 5.81
    cyclohexanol 9.02
    benzyl alcohol 13.66
    2-ethylhexanol 6.98
    isooctanol 6.84
    dipropyl ether 10.72
    1,2-dichlorobenzene 13.05
    ethyl lactate 8.6
    propylene carbonate 17.29
    n-methylformamide 7.18
    2-pentanol 7.46
    n-pentane 0.78
    1-propoxy-2-propanol 21.06
    1-methoxy-2-propyl acetate 25.69
    2-(2-methoxypropoxy) propanol 25.89
    mesitylene 4.13
    ε-caprolactone 42.25
    p-cymene 4.28
    epichlorohydrin 66.73
    1,1,1-trichloroethane 19.6
    2-aminoethanol 1.59
    morpholine-4-carbaldehyde 46.98
    sulfolane 54.34
    2,2,4-trimethylpentane 1.05
    2-methyltetrahydrofuran 57.17
    n-hexyl acetate 18.11
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 32.31
    sec-butyl acetate 16.58
    tert-butyl acetate 21.16
    decalin 1.37
    glycerin 2.05
    diglyme 66.95
    acrylic acid 5.14
    isopropyl myristate 5.61
    n-butyric acid 14.11
    acetyl acetate 8.85
    di(2-ethylhexyl) phthalate 7.14
    ethyl propionate 17.07
    nitromethane 15.23
    1,2-diethoxyethane 26.54
    benzonitrile 6.47
    trioctyl phosphate 4.17
    1-bromopropane 15.81
    gamma-valerolactone 73.69
    n-decanol 3.46
    triethyl phosphate 9.44
    4-methyl-2-pentanol 5.38
    propionitrile 5.0
    vinylene carbonate 12.31
    1,1,2-trichlorotrifluoroethane 30.49
    DMS 11.24
    cumene 6.19
    2-octanol 4.44
    2-hexanone 22.58
    octyl acetate 7.62
    limonene 6.12
    1,2-dimethoxyethane 45.84
    ethyl orthosilicate 11.03
    tributyl phosphate 5.19
    diacetone alcohol 23.88
    N,N-dimethylaniline 19.47
    acrylonitrile 4.82
    aniline 12.84
    1,3-propanediol 4.0
    bromobenzene 12.47
    dibromomethane 24.17
    1,1,2,2-tetrachloroethane 52.65
    2-methyl-cyclohexyl acetate 18.22
    tetrabutyl urea 8.44
    diisobutyl methanol 4.15
    2-phenylethanol 12.68
    styrene 8.89
    dioctyl adipate 11.31
    dimethyl sulfate 15.8
    ethyl butyrate 15.34
    methyl lactate 7.23
    butyl lactate 13.46
    diethyl carbonate 8.1
    propanediol butyl ether 12.05
    triethyl orthoformate 15.2
    p-tert-butyltoluene 4.3
    methyl 4-tert-butylbenzoate 23.55
    morpholine 46.97
    tert-butylamine 4.64
    n-dodecanol 2.09
    dimethoxymethane 28.12
    ethylene carbonate 10.05
    cyrene 29.22
    2-ethoxyethyl acetate 27.48
    2-ethylhexyl acetate 14.88
    1,2,4-trichlorobenzene 19.42
    4-methylpyridine 28.5
    dibutyl ether 7.77
    2,6-dimethyl-4-heptanol 4.15
    DEF 35.49
    dimethyl isosorbide 54.93
    tetrachloroethylene 25.98
    eugenol 21.51
    triacetin 20.44
    span 80 18.28
    1,4-butanediol 2.02
    1,1-dichloroethane 17.68
    2-methyl-1-pentanol 15.75
    methyl formate 4.55
    2-methyl-1-butanol 11.37
    n-decane 0.5
    butyronitrile 6.06
    3,7-dimethyl-1-octanol 5.42
    1-chlorooctane 3.32
    1-chlorotetradecane 0.85
    n-nonane 0.41
    undecane 0.29
    tert-butylcyclohexane 1.42
    cyclooctane 0.47
    cyclopentanol 8.94
    tetrahydropyran 37.23
    tert-amyl methyl ether 22.37
    2,5,8-trioxanonane 39.86
    1-hexene 6.87
    2-isopropoxyethanol 19.25
    2,2,2-trifluoroethanol 2.66
    methyl butyrate 22.48

    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