5,6-Dihydroxy-4-(2-methylbutanoyl)-2,6-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione

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  • Identifiers

    CAS number
    28374-89-2

    Molecular formula
    C21H30O5

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 49.45%
    Fruity 47.14%
    Mint 42.26%
    Sweet 40.53%
    Floral 33.89%
    Woody 32.36%
    Spicy 30.76%
    Citrus 30.54%
    Dry 27.06%
    Warm 25.43%

     

    Flavor
    Bitter 73.74%
    Cedarleaf 21.24%
    Herbal 20.42%
    Lovage 20.07%
    Broom 19.78%
    Heather 19.77%
    Genet 19.72%
    Basil 19.62%
    Leaves 19.56%
    Parsley 19.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.1 (neutral)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    529°C

    Flash point

    • 165.83 ˚C est.

  • Synonyms

    • 28374-89-2
    • 5,6-dihydroxy-4-(2-methylbutanoyl)-2,6-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione
    • 2,5-Dihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-4-cyclohexene-1,3-dione
    • 5,6-dihydroxy-4-(2-methylbutanoyl)-2,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
    • 4-Cyclohexene-1,3-dione, 2,5-dihydroxy-2,6-bis(3-methyl-2-butenyl)-4-(2-methyl-1-oxobutyl)-
    • orb1698740
    • SCHEMBL13629035
    • SCHEMBL29471140
    • DTXSID40951047
    • AKOS040750142
    • 28374-89-2

  • Applications

    5,6-Dihydroxy-4-(2-methylbutanoyl)-2,6-bis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione (CAS 28374-89-2) is a prenylated hydroquinone-type compound that may serve as a synthesis intermediate in specialty chemicals and pharmaceuticals, and can function as a fragrance/odorant component in perfumery. It may also find use in cosmetics/personal care as a colorant or antioxidant ingredient, and in polymer formulations and coatings as an antioxidant or stabilizer. In coatings and inks it can act as a dye/pigment precursor; in electronics-related materials its redox-active quinone core may be explored for specialty applications; and in industrial manufacturing it can serve as a building block for advanced materials. All uses are subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 428.68
    methanol 458.71
    isopropanol 347.86
    water 0.18
    ethyl acetate 370.62
    n-propanol 435.47
    acetone 582.05
    n-butanol 378.59
    acetonitrile 211.32
    DMF 1489.72
    toluene 312.8
    isobutanol 349.14
    1,4-dioxane 629.11
    methyl acetate 429.61
    THF 1327.53
    2-butanone 588.14
    n-pentanol 285.66
    sec-butanol 417.25
    n-hexane 28.86
    ethylene glycol 83.25
    NMP 1630.39
    cyclohexane 40.33
    DMSO 933.64
    n-butyl acetate 293.81
    n-octanol 108.48
    chloroform 708.18
    n-propyl acetate 220.79
    acetic acid 510.42
    dichloromethane 573.88
    cyclohexanone 782.56
    propylene glycol 187.4
    isopropyl acetate 301.02
    DMAc 1509.19
    2-ethoxyethanol 417.31
    isopentanol 341.2
    n-heptane 12.03
    ethyl formate 218.1
    1,2-dichloroethane 567.06
    n-hexanol 309.6
    2-methoxyethanol 746.7
    isobutyl acetate 177.47
    tetrachloromethane 107.22
    n-pentyl acetate 212.31
    transcutol 775.61
    n-heptanol 142.08
    ethylbenzene 153.16
    MIBK 333.4
    2-propoxyethanol 550.97
    tert-butanol 440.75
    MTBE 330.86
    2-butoxyethanol 329.0
    propionic acid 331.87
    o-xylene 185.29
    formic acid 187.72
    diethyl ether 300.15
    m-xylene 199.71
    p-xylene 176.74
    chlorobenzene 323.03
    dimethyl carbonate 289.85
    n-octane 6.98
    formamide 335.93
    cyclopentanone 1080.49
    2-pentanone 491.31
    anisole 286.26
    cyclopentyl methyl ether 589.9
    gamma-butyrolactone 1068.41
    1-methoxy-2-propanol 712.36
    pyridine 699.98
    3-pentanone 367.45
    furfural 657.52
    n-dodecane 5.15
    diethylene glycol 350.31
    diisopropyl ether 102.39
    tert-amyl alcohol 446.05
    acetylacetone 510.84
    n-hexadecane 5.96
    acetophenone 318.21
    methyl propionate 454.87
    isopentyl acetate 295.81
    trichloroethylene 1002.37
    n-nonanol 107.11
    cyclohexanol 417.33
    benzyl alcohol 291.83
    2-ethylhexanol 164.6
    isooctanol 120.92
    dipropyl ether 129.32
    1,2-dichlorobenzene 283.31
    ethyl lactate 170.41
    propylene carbonate 545.3
    n-methylformamide 527.47
    2-pentanol 305.08
    n-pentane 29.39
    1-propoxy-2-propanol 342.34
    1-methoxy-2-propyl acetate 384.14
    2-(2-methoxypropoxy) propanol 293.12
    mesitylene 111.96
    ε-caprolactone 727.29
    p-cymene 75.37
    epichlorohydrin 1300.49
    1,1,1-trichloroethane 519.85
    2-aminoethanol 235.42
    morpholine-4-carbaldehyde 1219.59
    sulfolane 1327.26
    2,2,4-trimethylpentane 23.04
    2-methyltetrahydrofuran 880.57
    n-hexyl acetate 259.39
    isooctane 15.86
    2-(2-butoxyethoxy)ethanol 390.78
    sec-butyl acetate 197.98
    tert-butyl acetate 348.38
    decalin 33.79
    glycerin 243.22
    diglyme 586.44
    acrylic acid 285.87
    isopropyl myristate 90.85
    n-butyric acid 439.81
    acetyl acetate 235.57
    di(2-ethylhexyl) phthalate 129.9
    ethyl propionate 220.81
    nitromethane 652.61
    1,2-diethoxyethane 274.68
    benzonitrile 247.66
    trioctyl phosphate 87.73
    1-bromopropane 317.82
    gamma-valerolactone 1276.34
    n-decanol 76.94
    triethyl phosphate 113.41
    4-methyl-2-pentanol 181.33
    propionitrile 255.79
    vinylene carbonate 406.99
    1,1,2-trichlorotrifluoroethane 727.04
    DMS 274.7
    cumene 101.75
    2-octanol 97.39
    2-hexanone 271.23
    octyl acetate 132.18
    limonene 114.48
    1,2-dimethoxyethane 538.41
    ethyl orthosilicate 110.71
    tributyl phosphate 103.12
    diacetone alcohol 496.83
    N,N-dimethylaniline 250.83
    acrylonitrile 304.6
    aniline 400.64
    1,3-propanediol 347.06
    bromobenzene 308.29
    dibromomethane 428.53
    1,1,2,2-tetrachloroethane 917.17
    2-methyl-cyclohexyl acetate 204.49
    tetrabutyl urea 143.64
    diisobutyl methanol 85.72
    2-phenylethanol 308.5
    styrene 176.82
    dioctyl adipate 146.58
    dimethyl sulfate 494.68
    ethyl butyrate 172.26
    methyl lactate 333.76
    butyl lactate 199.88
    diethyl carbonate 121.18
    propanediol butyl ether 263.55
    triethyl orthoformate 134.65
    p-tert-butyltoluene 80.48
    methyl 4-tert-butylbenzoate 288.11
    morpholine 963.48
    tert-butylamine 232.9
    n-dodecanol 54.94
    dimethoxymethane 701.85
    ethylene carbonate 368.91
    cyrene 382.47
    2-ethoxyethyl acetate 310.61
    2-ethylhexyl acetate 226.53
    1,2,4-trichlorobenzene 381.7
    4-methylpyridine 732.2
    dibutyl ether 91.18
    2,6-dimethyl-4-heptanol 85.72
    DEF 637.07
    dimethyl isosorbide 562.23
    tetrachloroethylene 525.95
    eugenol 274.24
    triacetin 232.21
    span 80 251.59
    1,4-butanediol 147.41
    1,1-dichloroethane 537.78
    2-methyl-1-pentanol 297.89
    methyl formate 372.37
    2-methyl-1-butanol 385.61
    n-decane 8.58
    butyronitrile 234.61
    3,7-dimethyl-1-octanol 128.03
    1-chlorooctane 56.99
    1-chlorotetradecane 23.28
    n-nonane 7.58
    undecane 6.46
    tert-butylcyclohexane 28.45
    cyclooctane 14.27
    cyclopentanol 518.33
    tetrahydropyran 656.51
    tert-amyl methyl ether 306.31
    2,5,8-trioxanonane 403.14
    1-hexene 119.93
    2-isopropoxyethanol 311.83
    2,2,2-trifluoroethanol 185.54
    methyl butyrate 291.79

    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