8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8R,14S,15S)-

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  • Identifiers

    CAS number
    82765-89-7

    Molecular formula
    C30H24O10

    SMILES
    C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@H]4C([C@@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC=C(C=C6)O)O)O)C7=CC=C(C=C7)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.22%
    Phenolic 55.66%
    Vanilla 28.42%
    Spicy 25.75%
    Smoky 25.61%
    Sweet 24.8%
    Medicinal 24.05%
    Burnt 23.59%
    Balsamic 21.81%
    Bitter 19.72%

     

    Flavor
    Bitter 94.77%
    Bland 23.85%
    Sweet-like 22.06%
    Cedarleaf 19.94%
    Odorless 19.91%
    Lovage 18.84%
    Parsley 18.74%
    Indole 18.65%
    Very strong 18.64%
    Nitrile 18.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.69 (weak base)

    Molecular weight
    544.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3528°C

    Flash point

    • 323.9 ˚C est.

  • Synonyms

    • 82765-89-7
    • 8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8R,14S,15S)-
    • DTXSID301002876
    • (2R,3R,8R,14S)-2,8-Bis(4-hydroxyphenyl)-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol
    • 2,8-Bis(4-hydroxyphenyl)-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol
    • 82765-89-7

  • Applications

    For 8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R,3R,8R,14S,15S)- (CAS 82765-89-7), real-world applications are typically found in polymers and plastics where it can act as an antioxidant and stabilizer for polymer and coating systems, and may serve as a polyol crosslinker in polyurethane formulations; in coatings and inks as a polyphenol modifier to improve durability and thermal stability; in adhesives as a polyol component for crosslinked networks; in cosmetics and personal care as an antioxidant or functional polyphenolic ingredient; and in pharmaceuticals as a synthetic intermediate for complex chiral organic compounds, with use governed by regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.46
    methanol 53.49
    isopropanol 4.99
    water 0.18
    ethyl acetate 6.37
    n-propanol 11.08
    acetone 13.43
    n-butanol 5.7
    acetonitrile 3.39
    DMF 157.35
    toluene 0.4
    isobutanol 2.92
    1,4-dioxane 16.06
    methyl acetate 9.11
    THF 37.56
    2-butanone 13.63
    n-pentanol 2.11
    sec-butanol 3.72
    n-hexane 0.01
    ethylene glycol 31.44
    NMP 84.04
    cyclohexane 0.02
    DMSO 156.98
    n-butyl acetate 2.65
    n-octanol 1.39
    chloroform 1.39
    n-propyl acetate 2.83
    acetic acid 75.12
    dichloromethane 1.4
    cyclohexanone 11.87
    propylene glycol 36.32
    isopropyl acetate 2.87
    DMAc 117.67
    2-ethoxyethanol 39.06
    isopentanol 2.05
    n-heptane 0.03
    ethyl formate 12.64
    1,2-dichloroethane 1.34
    n-hexanol 1.16
    2-methoxyethanol 151.48
    isobutyl acetate 0.82
    tetrachloromethane 0.17
    n-pentyl acetate 2.86
    transcutol 30.27
    n-heptanol 1.72
    ethylbenzene 0.12
    MIBK 2.09
    2-propoxyethanol 31.79
    tert-butanol 1.97
    MTBE 0.87
    2-butoxyethanol 15.01
    propionic acid 19.6
    o-xylene 0.22
    formic acid 94.71
    diethyl ether 2.38
    m-xylene 0.2
    p-xylene 0.12
    chlorobenzene 0.32
    dimethyl carbonate 15.44
    n-octane 0.02
    formamide 96.27
    cyclopentanone 27.85
    2-pentanone 7.17
    anisole 1.23
    cyclopentyl methyl ether 3.56
    gamma-butyrolactone 41.47
    1-methoxy-2-propanol 76.11
    pyridine 9.15
    3-pentanone 4.54
    furfural 30.66
    n-dodecane 0.02
    diethylene glycol 45.19
    diisopropyl ether 0.22
    tert-amyl alcohol 1.82
    acetylacetone 13.27
    n-hexadecane 0.02
    acetophenone 2.17
    methyl propionate 12.48
    isopentyl acetate 1.62
    trichloroethylene 3.66
    n-nonanol 1.5
    cyclohexanol 1.74
    benzyl alcohol 2.82
    2-ethylhexanol 0.56
    isooctanol 0.99
    dipropyl ether 1.53
    1,2-dichlorobenzene 0.28
    ethyl lactate 8.69
    propylene carbonate 11.03
    n-methylformamide 85.64
    2-pentanol 1.7
    n-pentane 0.03
    1-propoxy-2-propanol 17.12
    1-methoxy-2-propyl acetate 10.53
    2-(2-methoxypropoxy) propanol 11.1
    mesitylene 0.09
    ε-caprolactone 14.63
    p-cymene 0.13
    epichlorohydrin 25.61
    1,1,1-trichloroethane 0.37
    2-aminoethanol 37.41
    morpholine-4-carbaldehyde 92.12
    sulfolane 68.6
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.57
    n-hexyl acetate 2.98
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 16.5
    sec-butyl acetate 1.17
    tert-butyl acetate 2.22
    decalin 0.01
    glycerin 103.34
    diglyme 28.61
    acrylic acid 30.96
    isopropyl myristate 0.93
    n-butyric acid 17.27
    acetyl acetate 4.35
    di(2-ethylhexyl) phthalate 1.66
    ethyl propionate 3.15
    nitromethane 103.83
    1,2-diethoxyethane 4.5
    benzonitrile 1.27
    trioctyl phosphate 1.47
    1-bromopropane 0.44
    gamma-valerolactone 104.14
    n-decanol 0.96
    triethyl phosphate 1.59
    4-methyl-2-pentanol 0.62
    propionitrile 3.39
    vinylene carbonate 12.78
    1,1,2-trichlorotrifluoroethane 56.11
    DMS 4.35
    cumene 0.07
    2-octanol 0.79
    2-hexanone 2.5
    octyl acetate 1.8
    limonene 0.22
    1,2-dimethoxyethane 31.09
    ethyl orthosilicate 1.26
    tributyl phosphate 1.41
    diacetone alcohol 10.74
    N,N-dimethylaniline 0.78
    acrylonitrile 8.29
    aniline 2.04
    1,3-propanediol 43.99
    bromobenzene 0.17
    dibromomethane 0.51
    1,1,2,2-tetrachloroethane 3.03
    2-methyl-cyclohexyl acetate 1.34
    tetrabutyl urea 2.72
    diisobutyl methanol 0.34
    2-phenylethanol 2.04
    styrene 0.15
    dioctyl adipate 2.35
    dimethyl sulfate 27.81
    ethyl butyrate 2.63
    methyl lactate 40.28
    butyl lactate 7.12
    diethyl carbonate 1.78
    propanediol butyl ether 15.89
    triethyl orthoformate 2.64
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 4.5
    morpholine 30.33
    tert-butylamine 0.36
    n-dodecanol 0.59
    dimethoxymethane 59.04
    ethylene carbonate 9.04
    cyrene 15.79
    2-ethoxyethyl acetate 8.1
    2-ethylhexyl acetate 1.05
    1,2,4-trichlorobenzene 0.54
    4-methylpyridine 4.1
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 0.34
    DEF 16.49
    dimethyl isosorbide 15.61
    tetrachloroethylene 2.13
    eugenol 6.08
    triacetin 6.51
    span 80 9.2
    1,4-butanediol 9.7
    1,1-dichloroethane 0.61
    2-methyl-1-pentanol 0.97
    methyl formate 55.94
    2-methyl-1-butanol 2.43
    n-decane 0.04
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.23
    1-chlorotetradecane 0.08
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 4.19
    tetrahydropyran 4.53
    tert-amyl methyl ether 1.07
    2,5,8-trioxanonane 19.48
    1-hexene 0.08
    2-isopropoxyethanol 11.66
    2,2,2-trifluoroethanol 21.52
    methyl butyrate 4.91

    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