6-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one

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  • Identifiers

    CAS number
    65792-05-4

    Molecular formula
    C26H34O8

    SMILES
    CCCC(=O)C1=C(C(=C(C(=C1O)CC2(C(=C(C(=C(C2=O)C(=O)C(C)CC)O)C)O)C)O)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 37.88%
    Sweet 31.66%
    Woody 30.39%
    Odorless 30.17%
    Spicy 29.14%
    Dry 28.96%
    Caramellic 26.56%
    Herbal 25.94%
    Mint 25.1%
    Burnt 24.08%

     

    Flavor
    Bitter 70.08%
    Odorless 28.72%
    Bland 25.68%
    Cedarleaf 21.07%
    Parsley 20.48%
    Sweet-like 20.16%
    Lovage 19.88%
    Broom 19.66%
    Heather 19.61%
    Leaves 19.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.94 (neutral)

    Molecular weight
    474.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1149°C

    Flash point

    • 239.86 ˚C est.

  • Synonyms

    • 65792-05-4
    • 6-((2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
    • 6-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
    • RefChem:306397
    • 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
    • CID 128292
    • BRN 2195872
    • MEGxp0_000406
    • SCHEMBL2313302
    • AKOS015965215
    • 2,4-Cyclohexadien-1-one, 3,5-dihydroxy-6-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-
    • 2,4-Cyclohexadien-1-one,6-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-
    • AC-20174
    • 2,4-Dihydroxy-5-methyl-6-methoxy-3-[[2,4-dihydroxy-3-methyl-6-oxo-5-(1-oxo-2-methylbutyl)-2,4-cyclohexadienyl]methyl]butyrophenone
    • 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
    • 65792-05-4

  • Applications

    Chemical name: 6-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one; CAS number: 65792-05-4. This compound serves primarily as a fine-chemical intermediate in organic synthesis. In industry, it is commonly explored as a building block for specialty dyes and pigments used in coatings and inks. In polymer and plastics formulations, it may act as a phenolic antioxidant or stabilizer additive to improve processing and longevity. In pharmaceutical research, it is used as a synthetic intermediate for the preparation of more complex molecules, with all use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.23
    methanol 82.17
    isopropanol 58.86
    water 0.05
    ethyl acetate 32.07
    n-propanol 74.36
    acetone 116.17
    n-butanol 52.97
    acetonitrile 23.51
    DMF 189.8
    toluene 21.46
    isobutanol 44.44
    1,4-dioxane 134.95
    methyl acetate 47.52
    THF 410.4
    2-butanone 90.48
    n-pentanol 54.12
    sec-butanol 55.3
    n-hexane 1.77
    ethylene glycol 20.88
    NMP 249.66
    cyclohexane 2.17
    DMSO 322.57
    n-butyl acetate 21.33
    n-octanol 9.72
    chloroform 55.1
    n-propyl acetate 27.57
    acetic acid 80.19
    dichloromethane 49.47
    cyclohexanone 125.28
    propylene glycol 45.43
    isopropyl acetate 24.61
    DMAc 216.1
    2-ethoxyethanol 85.98
    isopentanol 35.55
    n-heptane 0.82
    ethyl formate 26.59
    1,2-dichloroethane 49.62
    n-hexanol 28.82
    2-methoxyethanol 132.44
    isobutyl acetate 18.95
    tetrachloromethane 9.15
    n-pentyl acetate 20.63
    transcutol 46.51
    n-heptanol 15.78
    ethylbenzene 11.24
    MIBK 30.98
    2-propoxyethanol 85.07
    tert-butanol 55.1
    MTBE 27.43
    2-butoxyethanol 41.9
    propionic acid 49.22
    o-xylene 11.9
    formic acid 35.99
    diethyl ether 31.9
    m-xylene 12.0
    p-xylene 14.74
    chlorobenzene 23.28
    dimethyl carbonate 35.7
    n-octane 0.54
    formamide 51.43
    cyclopentanone 207.77
    2-pentanone 56.24
    anisole 26.42
    cyclopentyl methyl ether 58.78
    gamma-butyrolactone 180.33
    1-methoxy-2-propanol 103.23
    pyridine 91.98
    3-pentanone 44.41
    furfural 93.88
    n-dodecane 0.45
    diethylene glycol 67.18
    diisopropyl ether 6.82
    tert-amyl alcohol 44.67
    acetylacetone 66.75
    n-hexadecane 0.53
    acetophenone 35.66
    methyl propionate 45.72
    isopentyl acetate 20.99
    trichloroethylene 80.33
    n-nonanol 10.18
    cyclohexanol 42.78
    benzyl alcohol 44.18
    2-ethylhexanol 12.44
    isooctanol 12.28
    dipropyl ether 13.43
    1,2-dichlorobenzene 19.85
    ethyl lactate 23.06
    propylene carbonate 58.8
    n-methylformamide 78.92
    2-pentanol 27.9
    n-pentane 1.57
    1-propoxy-2-propanol 42.47
    1-methoxy-2-propyl acetate 32.71
    2-(2-methoxypropoxy) propanol 29.42
    mesitylene 5.99
    ε-caprolactone 88.99
    p-cymene 5.55
    epichlorohydrin 175.36
    1,1,1-trichloroethane 34.67
    2-aminoethanol 49.4
    morpholine-4-carbaldehyde 144.0
    sulfolane 278.29
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 117.63
    n-hexyl acetate 20.81
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 36.81
    sec-butyl acetate 18.0
    tert-butyl acetate 29.01
    decalin 1.77
    glycerin 63.9
    diglyme 54.78
    acrylic acid 48.79
    isopropyl myristate 8.59
    n-butyric acid 46.38
    acetyl acetate 23.76
    di(2-ethylhexyl) phthalate 15.8
    ethyl propionate 22.42
    nitromethane 95.08
    1,2-diethoxyethane 22.67
    benzonitrile 27.07
    trioctyl phosphate 11.19
    1-bromopropane 24.88
    gamma-valerolactone 206.08
    n-decanol 7.11
    triethyl phosphate 11.67
    4-methyl-2-pentanol 14.71
    propionitrile 28.42
    vinylene carbonate 46.59
    1,1,2-trichlorotrifluoroethane 99.29
    DMS 25.35
    cumene 7.35
    2-octanol 9.87
    2-hexanone 47.38
    octyl acetate 12.58
    limonene 7.53
    1,2-dimethoxyethane 93.98
    ethyl orthosilicate 10.89
    tributyl phosphate 10.14
    diacetone alcohol 54.91
    N,N-dimethylaniline 21.72
    acrylonitrile 35.33
    aniline 36.05
    1,3-propanediol 70.16
    bromobenzene 19.9
    dibromomethane 36.15
    1,1,2,2-tetrachloroethane 73.78
    2-methyl-cyclohexyl acetate 19.65
    tetrabutyl urea 17.97
    diisobutyl methanol 6.84
    2-phenylethanol 33.43
    styrene 12.07
    dioctyl adipate 15.57
    dimethyl sulfate 70.26
    ethyl butyrate 14.97
    methyl lactate 43.86
    butyl lactate 20.14
    diethyl carbonate 10.54
    propanediol butyl ether 32.27
    triethyl orthoformate 13.23
    p-tert-butyltoluene 5.27
    methyl 4-tert-butylbenzoate 31.07
    morpholine 168.15
    tert-butylamine 19.3
    n-dodecanol 5.01
    dimethoxymethane 114.98
    ethylene carbonate 39.59
    cyrene 71.26
    2-ethoxyethyl acetate 30.54
    2-ethylhexyl acetate 16.71
    1,2,4-trichlorobenzene 30.26
    4-methylpyridine 67.14
    dibutyl ether 7.61
    2,6-dimethyl-4-heptanol 6.84
    DEF 64.04
    dimethyl isosorbide 56.09
    tetrachloroethylene 44.08
    eugenol 30.28
    triacetin 23.34
    span 80 30.17
    1,4-butanediol 38.41
    1,1-dichloroethane 37.79
    2-methyl-1-pentanol 40.41
    methyl formate 59.91
    2-methyl-1-butanol 40.79
    n-decane 0.77
    butyronitrile 26.67
    3,7-dimethyl-1-octanol 9.04
    1-chlorooctane 4.61
    1-chlorotetradecane 1.94
    n-nonane 0.65
    undecane 0.57
    tert-butylcyclohexane 1.4
    cyclooctane 0.73
    cyclopentanol 74.64
    tetrahydropyran 90.18
    tert-amyl methyl ether 24.45
    2,5,8-trioxanonane 41.74
    1-hexene 9.07
    2-isopropoxyethanol 51.76
    2,2,2-trifluoroethanol 27.43
    methyl butyrate 31.5

    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