2-(2,4-Dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one

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  • Identifiers

    CAS number
    54835-67-5

    Molecular formula
    C30H34O6

    SMILES
    CC(=CCCC(=CCC1=C(OC2=C(C1=O)C(=C(C(=C2)O)CC=C(C)C)O)C3=C(C=C(C=C3)O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 44.16%
    Spicy 37.91%
    Phenolic 34.04%
    Woody 32.68%
    Dry 25.4%
    Odorless 24.53%
    Balsamic 23.41%
    Animal 22.02%
    Herbal 21.7%
    Burnt 21.68%

     

    Flavor
    Bitter 76.28%
    Cedarleaf 19.95%
    Lovage 19.77%
    Parsley 19.75%
    Heather 19.03%
    Oriental 19.01%
    Nitrile 18.83%
    Broom 18.82%
    Diterpene 18.77%
    Thymol 18.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    10.86 (weak base)

    Molecular weight
    490.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1462°C

    Flash point

    • 261.54 ˚C est.

  • Synonyms

    • 54835-67-5
    • DTXSID301106165
    • DB-291613
    • 2-(2,4-Dihydroxyphenyl)-3-(3,7-dimethyl-2,6-octadienyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4h-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3-(3,7-dimethyl-2,6-octadienyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-
    • 54835-67-5

  • Applications

    2-(2,4-Dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one (CAS 54835-67-5) is a prenylated chromone/flavonoid-like compound that functions primarily as an intermediate in organic synthesis and as a scaffold for research. Real-world applications focus on cosmetics and personal care where it may act as an antioxidant and a potential UV-stabilizing additive; coatings and inks as a light- and heat-stabilizing additive; polymers and plastics as an antioxidant/stabilizer to improve aging performance; pharmaceuticals and related research as a synthetic building block for bioactive agents; and agricultural research as a lead compound in studies of plant-defense chemistry. Its actual use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.27
    methanol 3.13
    isopropanol 1.44
    water 0.0
    ethyl acetate 1.79
    n-propanol 2.86
    acetone 5.0
    n-butanol 1.56
    acetonitrile 1.25
    DMF 27.28
    toluene 0.68
    isobutanol 1.62
    1,4-dioxane 9.9
    methyl acetate 4.58
    THF 30.37
    2-butanone 7.28
    n-pentanol 2.06
    sec-butanol 1.95
    n-hexane 0.03
    ethylene glycol 1.4
    NMP 50.51
    cyclohexane 0.03
    DMSO 37.43
    n-butyl acetate 2.28
    n-octanol 0.83
    chloroform 4.45
    n-propyl acetate 2.62
    acetic acid 11.91
    dichloromethane 4.1
    cyclohexanone 8.39
    propylene glycol 6.04
    isopropyl acetate 1.4
    DMAc 51.76
    2-ethoxyethanol 12.32
    isopentanol 1.26
    n-heptane 0.03
    ethyl formate 2.05
    1,2-dichloroethane 2.5
    n-hexanol 1.06
    2-methoxyethanol 22.18
    isobutyl acetate 1.96
    tetrachloromethane 0.21
    n-pentyl acetate 2.99
    transcutol 63.69
    n-heptanol 1.12
    ethylbenzene 0.34
    MIBK 1.81
    2-propoxyethanol 15.18
    tert-butanol 1.63
    MTBE 1.27
    2-butoxyethanol 9.08
    propionic acid 6.38
    o-xylene 0.35
    formic acid 4.7
    diethyl ether 0.82
    m-xylene 0.36
    p-xylene 0.62
    chlorobenzene 1.05
    dimethyl carbonate 3.57
    n-octane 0.02
    formamide 6.13
    cyclopentanone 20.82
    2-pentanone 2.99
    anisole 2.36
    cyclopentyl methyl ether 3.16
    gamma-butyrolactone 26.48
    1-methoxy-2-propanol 16.79
    pyridine 9.74
    3-pentanone 2.54
    furfural 19.14
    n-dodecane 0.02
    diethylene glycol 10.74
    diisopropyl ether 0.19
    tert-amyl alcohol 2.05
    acetylacetone 6.55
    n-hexadecane 0.02
    acetophenone 3.97
    methyl propionate 3.96
    isopentyl acetate 2.69
    trichloroethylene 10.65
    n-nonanol 0.94
    cyclohexanol 1.22
    benzyl alcohol 3.36
    2-ethylhexanol 0.72
    isooctanol 1.04
    dipropyl ether 1.2
    1,2-dichlorobenzene 1.03
    ethyl lactate 3.53
    propylene carbonate 6.82
    n-methylformamide 9.04
    2-pentanol 0.8
    n-pentane 0.02
    1-propoxy-2-propanol 10.71
    1-methoxy-2-propyl acetate 7.77
    2-(2-methoxypropoxy) propanol 14.02
    mesitylene 0.16
    ε-caprolactone 9.32
    p-cymene 0.3
    epichlorohydrin 32.21
    1,1,1-trichloroethane 1.39
    2-aminoethanol 3.98
    morpholine-4-carbaldehyde 44.51
    sulfolane 60.6
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.1
    n-hexyl acetate 3.16
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 17.54
    sec-butyl acetate 1.61
    tert-butyl acetate 2.52
    decalin 0.03
    glycerin 14.47
    diglyme 30.12
    acrylic acid 8.26
    isopropyl myristate 1.04
    n-butyric acid 4.22
    acetyl acetate 1.64
    di(2-ethylhexyl) phthalate 2.49
    ethyl propionate 1.99
    nitromethane 21.2
    1,2-diethoxyethane 6.43
    benzonitrile 1.96
    trioctyl phosphate 1.26
    1-bromopropane 0.66
    gamma-valerolactone 53.78
    n-decanol 0.62
    triethyl phosphate 1.67
    4-methyl-2-pentanol 0.52
    propionitrile 1.46
    vinylene carbonate 6.42
    1,1,2-trichlorotrifluoroethane 37.09
    DMS 5.39
    cumene 0.26
    2-octanol 0.62
    2-hexanone 3.63
    octyl acetate 1.57
    limonene 0.35
    1,2-dimethoxyethane 15.87
    ethyl orthosilicate 1.59
    tributyl phosphate 1.68
    diacetone alcohol 8.27
    N,N-dimethylaniline 1.83
    acrylonitrile 3.07
    aniline 2.02
    1,3-propanediol 5.02
    bromobenzene 0.85
    dibromomethane 1.48
    1,1,2,2-tetrachloroethane 7.88
    2-methyl-cyclohexyl acetate 2.89
    tetrabutyl urea 2.85
    diisobutyl methanol 0.47
    2-phenylethanol 2.78
    styrene 0.43
    dioctyl adipate 2.99
    dimethyl sulfate 10.23
    ethyl butyrate 1.9
    methyl lactate 7.47
    butyl lactate 6.0
    diethyl carbonate 1.36
    propanediol butyl ether 13.36
    triethyl orthoformate 2.59
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 6.91
    morpholine 16.44
    tert-butylamine 0.42
    n-dodecanol 0.39
    dimethoxymethane 11.55
    ethylene carbonate 3.96
    cyrene 19.02
    2-ethoxyethyl acetate 8.56
    2-ethylhexyl acetate 1.9
    1,2,4-trichlorobenzene 2.46
    4-methylpyridine 5.16
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 0.47
    DEF 5.0
    dimethyl isosorbide 28.26
    tetrachloroethylene 3.17
    eugenol 8.0
    triacetin 9.07
    span 80 10.69
    1,4-butanediol 2.03
    1,1-dichloroethane 1.34
    2-methyl-1-pentanol 1.88
    methyl formate 6.75
    2-methyl-1-butanol 1.53
    n-decane 0.03
    butyronitrile 1.03
    3,7-dimethyl-1-octanol 0.91
    1-chlorooctane 0.24
    1-chlorotetradecane 0.1
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 3.05
    tetrahydropyran 3.85
    tert-amyl methyl ether 1.18
    2,5,8-trioxanonane 20.5
    1-hexene 0.21
    2-isopropoxyethanol 7.39
    2,2,2-trifluoroethanol 2.98
    methyl butyrate 3.14

    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