(2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one

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  • Identifiers

    CAS number
    128532-95-6

    Molecular formula
    C40H36O10

    SMILES
    CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)C5=C(C=CC(=C5O)C(=O)/C=C/C6=C(C=C(C=C6)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.39%
    Phenolic 36.61%
    Spicy 33.18%
    Sweet 29.52%
    Balsamic 26.2%
    Vanilla 24.23%
    Bitter 22.84%
    Fruity 20.21%
    Burnt 20.11%
    Savory 19.51%

     

    Flavor
    Bitter 97.11%
    Odorless 26.92%
    Bland 22.14%
    Cedarleaf 19.65%
    Sweet-like 19.5%
    Lovage 18.99%
    Nitrile 18.74%
    Parsley 18.21%
    Very strong 17.98%
    Indole 17.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    10.65 (weak base)

    Molecular weight
    676.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3692°C

    Flash point

    • 297.24 ˚C est.

  • Synonyms

    • (2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one
    • 128532-95-6
    • (+)-Artonin D
    • 8QLU5CVK7G
    • DTXSID601098541
    • 2-Propen-1-one, 3-(2,4-dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-, (2E)-
    • 128532-95-6

  • Applications

    Chemical name: (2E)-3-(2,4-Dihydroxyphenyl)-1-[3-[(1S,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)carbonyl]-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2-propen-1-one; CAS number: 128532-95-6. This polyphenolic chalcone-like compound bearing multiple dihydroxyphenyl units and an enone chromophore is commonly used as an intermediate in the synthesis of polyphenolic compounds, and is evaluated as an antioxidant and processing/stability enhancer in polymer and coating formulations; it is also studied as a UV-absorbing stabilizer for plastics and coatings, and explored for cosmetic/personal care use as an antioxidant and photostabilizer.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.8
    methanol 5.52
    isopropanol 0.25
    water 0.01
    ethyl acetate 0.89
    n-propanol 0.89
    acetone 2.48
    n-butanol 0.39
    acetonitrile 0.59
    DMF 43.53
    toluene 0.26
    isobutanol 0.3
    1,4-dioxane 6.7
    methyl acetate 1.68
    THF 17.04
    2-butanone 2.53
    n-pentanol 0.32
    sec-butanol 0.28
    n-hexane 0.01
    ethylene glycol 1.77
    NMP 35.51
    cyclohexane 0.01
    DMSO 23.41
    n-butyl acetate 0.46
    n-octanol 0.32
    chloroform 1.07
    n-propyl acetate 0.69
    acetic acid 5.8
    dichloromethane 1.16
    cyclohexanone 2.79
    propylene glycol 3.63
    isopropyl acetate 0.46
    DMAc 32.15
    2-ethoxyethanol 7.27
    isopentanol 0.2
    n-heptane 0.01
    ethyl formate 1.64
    1,2-dichloroethane 0.67
    n-hexanol 0.16
    2-methoxyethanol 19.79
    isobutyl acetate 0.3
    tetrachloromethane 0.06
    n-pentyl acetate 0.74
    transcutol 17.15
    n-heptanol 0.27
    ethylbenzene 0.09
    MIBK 0.48
    2-propoxyethanol 7.23
    tert-butanol 0.21
    MTBE 0.26
    2-butoxyethanol 3.74
    propionic acid 2.2
    o-xylene 0.12
    formic acid 7.93
    diethyl ether 0.43
    m-xylene 0.13
    p-xylene 0.1
    chlorobenzene 0.25
    dimethyl carbonate 3.32
    n-octane 0.01
    formamide 8.05
    cyclopentanone 9.31
    2-pentanone 1.23
    anisole 0.92
    cyclopentyl methyl ether 1.33
    gamma-butyrolactone 13.23
    1-methoxy-2-propanol 10.45
    pyridine 4.27
    3-pentanone 1.11
    furfural 13.99
    n-dodecane 0.01
    diethylene glycol 7.18
    diisopropyl ether 0.05
    tert-amyl alcohol 0.26
    acetylacetone 3.53
    n-hexadecane 0.01
    acetophenone 1.23
    methyl propionate 2.45
    isopentyl acetate 0.35
    trichloroethylene 2.63
    n-nonanol 0.35
    cyclohexanol 0.22
    benzyl alcohol 1.05
    2-ethylhexanol 0.1
    isooctanol 0.19
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.24
    ethyl lactate 1.52
    propylene carbonate 2.54
    n-methylformamide 15.63
    2-pentanol 0.14
    n-pentane 0.01
    1-propoxy-2-propanol 3.94
    1-methoxy-2-propyl acetate 2.4
    2-(2-methoxypropoxy) propanol 4.71
    mesitylene 0.05
    ε-caprolactone 3.08
    p-cymene 0.05
    epichlorohydrin 12.36
    1,1,1-trichloroethane 0.2
    2-aminoethanol 3.18
    morpholine-4-carbaldehyde 39.41
    sulfolane 29.12
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.8
    n-hexyl acetate 0.96
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.34
    sec-butyl acetate 0.3
    tert-butyl acetate 0.59
    decalin 0.01
    glycerin 13.04
    diglyme 13.79
    acrylic acid 4.47
    isopropyl myristate 0.31
    n-butyric acid 1.44
    acetyl acetate 0.73
    di(2-ethylhexyl) phthalate 0.6
    ethyl propionate 0.81
    nitromethane 18.81
    1,2-diethoxyethane 2.04
    benzonitrile 0.58
    trioctyl phosphate 0.39
    1-bromopropane 0.18
    gamma-valerolactone 42.58
    n-decanol 0.22
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.08
    propionitrile 0.67
    vinylene carbonate 3.35
    1,1,2-trichlorotrifluoroethane 20.65
    DMS 1.38
    cumene 0.05
    2-octanol 0.14
    2-hexanone 0.78
    octyl acetate 0.56
    limonene 0.07
    1,2-dimethoxyethane 11.5
    ethyl orthosilicate 0.37
    tributyl phosphate 0.42
    diacetone alcohol 2.22
    N,N-dimethylaniline 0.61
    acrylonitrile 1.97
    aniline 0.62
    1,3-propanediol 2.61
    bromobenzene 0.2
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 1.76
    2-methyl-cyclohexyl acetate 0.42
    tetrabutyl urea 0.96
    diisobutyl methanol 0.07
    2-phenylethanol 0.55
    styrene 0.13
    dioctyl adipate 0.92
    dimethyl sulfate 7.9
    ethyl butyrate 0.59
    methyl lactate 6.19
    butyl lactate 1.73
    diethyl carbonate 0.33
    propanediol butyl ether 5.7
    triethyl orthoformate 0.77
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.94
    morpholine 9.51
    tert-butylamine 0.05
    n-dodecanol 0.13
    dimethoxymethane 17.71
    ethylene carbonate 1.85
    cyrene 9.14
    2-ethoxyethyl acetate 2.69
    2-ethylhexyl acetate 0.27
    1,2,4-trichlorobenzene 0.45
    4-methylpyridine 1.81
    dibutyl ether 0.39
    2,6-dimethyl-4-heptanol 0.07
    DEF 3.42
    dimethyl isosorbide 9.79
    tetrachloroethylene 0.89
    eugenol 2.45
    triacetin 2.68
    span 80 3.67
    1,4-butanediol 0.94
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.19
    methyl formate 12.79
    2-methyl-1-butanol 0.27
    n-decane 0.01
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.57
    tetrahydropyran 1.38
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 9.23
    1-hexene 0.04
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 1.77
    methyl butyrate 1.2

    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