[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    152542-70-6

    Molecular formula
    C43H32O19

    SMILES
    C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC5=C(C(=C(C=C5[C@@H]6[C@@H](CC7=C(C=C(C=C7O6)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)C(=O)C(=C4)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.86%
    Phenolic 40.0%
    Burnt 24.79%
    Balsamic 20.17%
    Smoky 17.9%
    Spicy 17.81%
    Savory 17.69%
    Vanilla 16.98%
    Bitter 15.4%
    Milky 15.38%

     

    Flavor
    Bitter 95.69%
    Odorless 31.23%
    Bland 30.13%
    Sweet-like 22.32%
    Cedarleaf 19.65%
    Lovage 18.66%
    Parsley 18.64%
    Nitrile 18.48%
    Very strong 18.15%
    Indole 18.02%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    11.54 (strong base)

    Molecular weight
    852.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5842°C

    Flash point

    • 333.87 ˚C est.

  • Synonyms

    • 152542-70-6
    • SCHEMBL432057
    • DTXSID701098106
    • (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 1-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-8-carboxylate
    • 152542-70-6

  • Applications

    Chemical name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate; CAS number: 152542-70-6 is a highly functional polyphenolic chromene derivative primarily used as an intermediate in pharmaceutical synthesis and as a building block for polyphenol-inspired polymers and coatings. In practice, it may be used as a research reagent in medicinal chemistry, a precursor in dye/pigment research, and an occasional component in cosmetic/personal care formulations as a polyphenol-like scaffold, within formulation limits and regulatory constraints. It can also be evaluated as a crosslinking or stabilizing additive in specialty polymers and coatings, or as a reference material for studies in polyphenol chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.53
    methanol 6.84
    isopropanol 1.53
    water 0.05
    ethyl acetate 1.41
    n-propanol 3.22
    acetone 3.44
    n-butanol 1.53
    acetonitrile 0.67
    DMF 86.96
    toluene 0.09
    isobutanol 0.77
    1,4-dioxane 14.5
    methyl acetate 2.6
    THF 29.15
    2-butanone 3.73
    n-pentanol 0.44
    sec-butanol 1.32
    n-hexane 0.0
    ethylene glycol 10.95
    NMP 47.08
    cyclohexane 0.0
    DMSO 89.36
    n-butyl acetate 0.42
    n-octanol 0.64
    chloroform 0.31
    n-propyl acetate 0.64
    acetic acid 18.74
    dichloromethane 0.43
    cyclohexanone 2.78
    propylene glycol 14.68
    isopropyl acetate 0.64
    DMAc 62.22
    2-ethoxyethanol 27.27
    isopentanol 0.48
    n-heptane 0.01
    ethyl formate 3.4
    1,2-dichloroethane 0.35
    n-hexanol 0.17
    2-methoxyethanol 96.55
    isobutyl acetate 0.14
    tetrachloromethane 0.03
    n-pentyl acetate 0.83
    transcutol 20.44
    n-heptanol 0.53
    ethylbenzene 0.02
    MIBK 0.37
    2-propoxyethanol 12.48
    tert-butanol 0.74
    MTBE 0.43
    2-butoxyethanol 7.79
    propionic acid 4.79
    o-xylene 0.05
    formic acid 27.72
    diethyl ether 0.74
    m-xylene 0.04
    p-xylene 0.02
    chlorobenzene 0.05
    dimethyl carbonate 3.93
    n-octane 0.01
    formamide 30.41
    cyclopentanone 11.08
    2-pentanone 1.62
    anisole 0.43
    cyclopentyl methyl ether 1.34
    gamma-butyrolactone 18.69
    1-methoxy-2-propanol 40.47
    pyridine 4.21
    3-pentanone 0.92
    furfural 15.07
    n-dodecane 0.0
    diethylene glycol 16.39
    diisopropyl ether 0.05
    tert-amyl alcohol 0.74
    acetylacetone 3.56
    n-hexadecane 0.01
    acetophenone 0.54
    methyl propionate 3.21
    isopentyl acetate 0.23
    trichloroethylene 0.91
    n-nonanol 0.68
    cyclohexanol 0.49
    benzyl alcohol 0.75
    2-ethylhexanol 0.09
    isooctanol 0.27
    dipropyl ether 0.47
    1,2-dichlorobenzene 0.04
    ethyl lactate 2.0
    propylene carbonate 2.98
    n-methylformamide 30.2
    2-pentanol 0.43
    n-pentane 0.01
    1-propoxy-2-propanol 5.66
    1-methoxy-2-propyl acetate 2.52
    2-(2-methoxypropoxy) propanol 5.17
    mesitylene 0.02
    ε-caprolactone 4.62
    p-cymene 0.02
    epichlorohydrin 13.25
    1,1,1-trichloroethane 0.07
    2-aminoethanol 14.78
    morpholine-4-carbaldehyde 75.41
    sulfolane 34.3
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 3.29
    n-hexyl acetate 0.99
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 9.55
    sec-butyl acetate 0.25
    tert-butyl acetate 0.61
    decalin 0.0
    glycerin 54.6
    diglyme 19.5
    acrylic acid 8.36
    isopropyl myristate 0.25
    n-butyric acid 4.01
    acetyl acetate 0.82
    di(2-ethylhexyl) phthalate 0.36
    ethyl propionate 0.75
    nitromethane 31.14
    1,2-diethoxyethane 2.33
    benzonitrile 0.23
    trioctyl phosphate 0.33
    1-bromopropane 0.1
    gamma-valerolactone 67.49
    n-decanol 0.38
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.12
    propionitrile 0.62
    vinylene carbonate 3.11
    1,1,2-trichlorotrifluoroethane 24.22
    DMS 0.95
    cumene 0.01
    2-octanol 0.3
    2-hexanone 0.52
    octyl acetate 0.56
    limonene 0.03
    1,2-dimethoxyethane 27.33
    ethyl orthosilicate 0.29
    tributyl phosphate 0.29
    diacetone alcohol 3.42
    N,N-dimethylaniline 0.27
    acrylonitrile 1.5
    aniline 0.55
    1,3-propanediol 18.53
    bromobenzene 0.03
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.78
    2-methyl-cyclohexyl acetate 0.21
    tetrabutyl urea 0.78
    diisobutyl methanol 0.06
    2-phenylethanol 0.33
    styrene 0.03
    dioctyl adipate 0.68
    dimethyl sulfate 9.36
    ethyl butyrate 0.57
    methyl lactate 11.08
    butyl lactate 2.03
    diethyl carbonate 0.35
    propanediol butyl ether 8.76
    triethyl orthoformate 0.73
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.25
    morpholine 27.31
    tert-butylamine 0.13
    n-dodecanol 0.21
    dimethoxymethane 30.07
    ethylene carbonate 2.01
    cyrene 6.33
    2-ethoxyethyl acetate 3.16
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 1.4
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.06
    DEF 5.5
    dimethyl isosorbide 5.23
    tetrachloroethylene 0.38
    eugenol 1.78
    triacetin 2.02
    span 80 4.41
    1,4-butanediol 2.94
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.18
    methyl formate 19.66
    2-methyl-1-butanol 0.65
    n-decane 0.01
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.56
    tetrahydropyran 2.21
    tert-amyl methyl ether 0.43
    2,5,8-trioxanonane 11.39
    1-hexene 0.02
    2-isopropoxyethanol 6.15
    2,2,2-trifluoroethanol 5.79
    methyl butyrate 1.27

    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