(2S)-2-(3-((1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    88524-65-6

    Molecular formula
    C35H30O11

    SMILES
    CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=CC(=C4O)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.79%
    Phenolic 45.22%
    Spicy 29.7%
    Burnt 23.19%
    Bitter 21.99%
    Medicinal 21.53%
    Balsamic 21.29%
    Smoky 20.87%
    Vanilla 20.84%
    Sweet 20.3%

     

    Flavor
    Bitter 96.8%
    Odorless 26.4%
    Bland 22.82%
    Sweet-like 20.42%
    Cedarleaf 20.13%
    Lovage 19.04%
    Nitrile 18.93%
    Parsley 18.43%
    Very strong 18.38%
    Indole 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    11.16 (strong base)

    Molecular weight
    626.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3839°C

    Flash point

    • 315.94 ˚C est.

  • Synonyms

    • Kuwanon L
    • (-)-Kuwanon L
    • 88524-65-6
    • K7L2NL4ZQF
    • (2S)-2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
    • (2S)-2-(3-((1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • (2S)-2-(3-((1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
    • (2S)-2-[3-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • RefChem:1049940
    • CHEMBL377937
    • 4H-1-BEnzopyran-4-one, 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)-
    • SCHEMBL24886231
    • CHEBI:190025
    • DTXSID001008213
    • BDBM50179009
    • (2S)-2-[(2~1~S,2~2~S,2~3~R)-2~2~-(2,4-Dihydroxybenzoyl)-1~2~,1~6~,3~2~,3~4~-tetrahydroxy-2~5~-methyl-2~1~,2~2~,2~3~,2~4~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-1~3~-yl]-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 2-[2~2~-(2,4-Dihydroxybenzoyl)-1~2~,1~6~,3~2~,3~4~-tetrahydroxy-2~5~-methyl-2~1~,2~2~,2~3~,2~4~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-1~3~-yl]-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(3-(6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (1S-(1alpha(R*),5alpha,6beta))-
    • 88524-65-6

  • Applications

    CAS 88524-65-6 is a polyphenolic chromone-like compound bearing multiple phenolic hydroxyl groups, namely (2S)-2-(3-((1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-Dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, commonly evaluated as an antioxidant and a synthetic building block. In practical use, it may serve as a processing stabilizer or antioxidant additive in polymers and coatings/inks to improve oxidative stability and color retention; in cosmetics and personal care formulations as an antioxidant/functional modifier; as an intermediate in medicinal chemistry or pharmaceutical synthesis for flavonoid-type scaffolds; and in research settings as a reference compound for structure–activity studies of polyphenolic chemistry. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.88
    methanol 7.44
    isopropanol 0.23
    water 0.01
    ethyl acetate 0.81
    n-propanol 0.91
    acetone 2.59
    n-butanol 0.36
    acetonitrile 0.67
    DMF 65.57
    toluene 0.15
    isobutanol 0.27
    1,4-dioxane 5.96
    methyl acetate 1.68
    THF 12.54
    2-butanone 2.39
    n-pentanol 0.26
    sec-butanol 0.24
    n-hexane 0.0
    ethylene glycol 3.58
    NMP 47.63
    cyclohexane 0.0
    DMSO 37.95
    n-butyl acetate 0.43
    n-octanol 0.26
    chloroform 0.33
    n-propyl acetate 0.58
    acetic acid 6.77
    dichloromethane 0.4
    cyclohexanone 2.39
    propylene glycol 5.77
    isopropyl acetate 0.37
    DMAc 38.2
    2-ethoxyethanol 8.95
    isopentanol 0.17
    n-heptane 0.01
    ethyl formate 1.86
    1,2-dichloroethane 0.33
    n-hexanol 0.12
    2-methoxyethanol 27.74
    isobutyl acetate 0.22
    tetrachloromethane 0.02
    n-pentyl acetate 0.59
    transcutol 21.3
    n-heptanol 0.21
    ethylbenzene 0.05
    MIBK 0.38
    2-propoxyethanol 8.08
    tert-butanol 0.18
    MTBE 0.16
    2-butoxyethanol 4.3
    propionic acid 2.36
    o-xylene 0.07
    formic acid 13.7
    diethyl ether 0.3
    m-xylene 0.07
    p-xylene 0.05
    chlorobenzene 0.11
    dimethyl carbonate 3.5
    n-octane 0.0
    formamide 14.51
    cyclopentanone 9.09
    2-pentanone 1.09
    anisole 0.54
    cyclopentyl methyl ether 0.88
    gamma-butyrolactone 14.19
    1-methoxy-2-propanol 12.43
    pyridine 3.22
    3-pentanone 0.91
    furfural 14.74
    n-dodecane 0.0
    diethylene glycol 11.33
    diisopropyl ether 0.03
    tert-amyl alcohol 0.2
    acetylacetone 3.76
    n-hexadecane 0.0
    acetophenone 0.87
    methyl propionate 2.38
    isopentyl acetate 0.3
    trichloroethylene 1.19
    n-nonanol 0.28
    cyclohexanol 0.16
    benzyl alcohol 0.71
    2-ethylhexanol 0.08
    isooctanol 0.14
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.11
    ethyl lactate 1.74
    propylene carbonate 2.31
    n-methylformamide 23.2
    2-pentanol 0.11
    n-pentane 0.0
    1-propoxy-2-propanol 4.16
    1-methoxy-2-propyl acetate 2.46
    2-(2-methoxypropoxy) propanol 5.47
    mesitylene 0.03
    ε-caprolactone 2.67
    p-cymene 0.03
    epichlorohydrin 9.91
    1,1,1-trichloroethane 0.08
    2-aminoethanol 5.18
    morpholine-4-carbaldehyde 49.6
    sulfolane 32.79
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.2
    n-hexyl acetate 0.72
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.44
    sec-butyl acetate 0.22
    tert-butyl acetate 0.45
    decalin 0.0
    glycerin 24.26
    diglyme 16.07
    acrylic acid 5.4
    isopropyl myristate 0.23
    n-butyric acid 1.38
    acetyl acetate 0.64
    di(2-ethylhexyl) phthalate 0.51
    ethyl propionate 0.66
    nitromethane 26.61
    1,2-diethoxyethane 1.89
    benzonitrile 0.43
    trioctyl phosphate 0.34
    1-bromopropane 0.09
    gamma-valerolactone 46.31
    n-decanol 0.17
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.06
    propionitrile 0.61
    vinylene carbonate 3.14
    1,1,2-trichlorotrifluoroethane 19.91
    DMS 1.36
    cumene 0.02
    2-octanol 0.1
    2-hexanone 0.64
    octyl acetate 0.44
    limonene 0.05
    1,2-dimethoxyethane 12.41
    ethyl orthosilicate 0.3
    tributyl phosphate 0.38
    diacetone alcohol 2.15
    N,N-dimethylaniline 0.37
    acrylonitrile 2.08
    aniline 0.4
    1,3-propanediol 3.46
    bromobenzene 0.07
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.79
    2-methyl-cyclohexyl acetate 0.32
    tetrabutyl urea 0.98
    diisobutyl methanol 0.05
    2-phenylethanol 0.4
    styrene 0.06
    dioctyl adipate 0.77
    dimethyl sulfate 8.86
    ethyl butyrate 0.54
    methyl lactate 7.98
    butyl lactate 1.84
    diethyl carbonate 0.3
    propanediol butyl ether 6.6
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.64
    morpholine 8.76
    tert-butylamine 0.04
    n-dodecanol 0.1
    dimethoxymethane 19.31
    ethylene carbonate 1.76
    cyrene 10.04
    2-ethoxyethyl acetate 2.53
    2-ethylhexyl acetate 0.22
    1,2,4-trichlorobenzene 0.19
    4-methylpyridine 1.3
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.05
    DEF 3.46
    dimethyl isosorbide 10.84
    tetrachloroethylene 0.44
    eugenol 2.42
    triacetin 2.66
    span 80 3.78
    1,4-butanediol 1.15
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.13
    methyl formate 17.57
    2-methyl-1-butanol 0.21
    n-decane 0.01
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.45
    tetrahydropyran 0.97
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 10.81
    1-hexene 0.02
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 2.27
    methyl butyrate 1.04

    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