14-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione

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  • Identifiers

    CAS number
    115406-24-1

    Molecular formula
    C34H24O22

    SMILES
    C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.5%
    Phenolic 37.05%
    Burnt 27.7%
    Smoky 17.61%
    Balsamic 17.13%
    Spicy 15.95%
    Savory 15.23%
    Medicinal 13.9%
    Bitter 13.87%
    Vanilla 13.67%

     

    Flavor
    Bitter 88.23%
    Odorless 32.07%
    Bland 28.41%
    Sweet-like 23.69%
    Cedarleaf 19.79%
    Lovage 19.37%
    Eugenol 19.32%
    Very mild 19.25%
    Parsley 19.23%
    Nitrile 18.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    4.65 (weak acid)

    Molecular weight
    784.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    4113°C

    Flash point

    • 422.86 ˚C est.

  • Synonyms

    • DTXSID901319142
    • 115406-24-1
    • 8-(1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1,2,3,12,13,14,15-heptahydroxy-7,8-dihydro-4,7-methanodibenzo[f,h][1,4]dioxecine-5,10-dione
    • 115406-24-1

  • Applications

    Chemical name: 14-(3,4,5,11,17,18,19-Heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione; CAS number: 115406-24-1. The highly oxygenated polycyclic framework makes it a versatile building block for high-purity organic synthesis, commonly used as an intermediate in the preparation of complex pharmaceuticals and specialty chemicals. In polymer and coatings contexts, it may serve as a functionalized monomer precursor or crosslinking/stabilizing additive for specialty polymers, resins, coatings and inks. Its rich array of hydroxyl and carbonyl groups also supports use as a chelating ligand in analytical and formulation contexts. Depending on regulatory acceptance, it may be evaluated as a humectant or formulation additive in cosmetic or personal-care products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.21
    methanol 3.75
    isopropanol 1.78
    water 0.32
    ethyl acetate 1.9
    n-propanol 2.06
    acetone 4.15
    n-butanol 0.86
    acetonitrile 1.13
    DMF 59.23
    toluene 0.33
    isobutanol 0.7
    1,4-dioxane 11.1
    methyl acetate 3.85
    THF 20.55
    2-butanone 3.27
    n-pentanol 0.5
    sec-butanol 1.2
    n-hexane 0.02
    ethylene glycol 12.11
    NMP 53.26
    cyclohexane 0.03
    DMSO 37.65
    n-butyl acetate 0.9
    n-octanol 0.95
    chloroform 0.44
    n-propyl acetate 1.04
    acetic acid 15.84
    dichloromethane 0.57
    cyclohexanone 2.49
    propylene glycol 10.09
    isopropyl acetate 1.05
    DMAc 47.39
    2-ethoxyethanol 13.49
    isopentanol 0.37
    n-heptane 0.04
    ethyl formate 2.05
    1,2-dichloroethane 0.51
    n-hexanol 0.36
    2-methoxyethanol 34.96
    isobutyl acetate 0.29
    tetrachloromethane 0.08
    n-pentyl acetate 1.47
    transcutol 17.07
    n-heptanol 0.84
    ethylbenzene 0.1
    MIBK 0.46
    2-propoxyethanol 9.88
    tert-butanol 1.18
    MTBE 0.78
    2-butoxyethanol 7.26
    propionic acid 5.43
    o-xylene 0.22
    formic acid 24.32
    diethyl ether 1.16
    m-xylene 0.16
    p-xylene 0.11
    chlorobenzene 0.11
    dimethyl carbonate 7.11
    n-octane 0.04
    formamide 28.21
    cyclopentanone 8.84
    2-pentanone 1.49
    anisole 0.71
    cyclopentyl methyl ether 2.74
    gamma-butyrolactone 18.37
    1-methoxy-2-propanol 20.7
    pyridine 4.85
    3-pentanone 1.34
    furfural 11.4
    n-dodecane 0.03
    diethylene glycol 15.56
    diisopropyl ether 0.17
    tert-amyl alcohol 0.94
    acetylacetone 3.84
    n-hexadecane 0.03
    acetophenone 0.96
    methyl propionate 4.38
    isopentyl acetate 0.45
    trichloroethylene 1.21
    n-nonanol 0.98
    cyclohexanol 0.78
    benzyl alcohol 1.17
    2-ethylhexanol 0.2
    isooctanol 0.47
    dipropyl ether 1.04
    1,2-dichlorobenzene 0.1
    ethyl lactate 2.88
    propylene carbonate 3.72
    n-methylformamide 17.81
    2-pentanol 0.51
    n-pentane 0.02
    1-propoxy-2-propanol 6.96
    1-methoxy-2-propyl acetate 3.81
    2-(2-methoxypropoxy) propanol 4.88
    mesitylene 0.07
    ε-caprolactone 4.06
    p-cymene 0.1
    epichlorohydrin 8.7
    1,1,1-trichloroethane 0.15
    2-aminoethanol 9.55
    morpholine-4-carbaldehyde 57.3
    sulfolane 26.46
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.98
    n-hexyl acetate 1.48
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.15
    sec-butyl acetate 0.46
    tert-butyl acetate 1.01
    decalin 0.01
    glycerin 34.86
    diglyme 15.62
    acrylic acid 10.03
    isopropyl myristate 0.45
    n-butyric acid 2.59
    acetyl acetate 1.28
    di(2-ethylhexyl) phthalate 0.57
    ethyl propionate 1.18
    nitromethane 24.81
    1,2-diethoxyethane 2.85
    benzonitrile 0.44
    trioctyl phosphate 0.54
    1-bromopropane 0.17
    gamma-valerolactone 30.91
    n-decanol 0.62
    triethyl phosphate 0.65
    4-methyl-2-pentanol 0.19
    propionitrile 0.83
    vinylene carbonate 3.69
    1,1,2-trichlorotrifluoroethane 18.5
    DMS 2.5
    cumene 0.05
    2-octanol 0.55
    2-hexanone 0.68
    octyl acetate 0.95
    limonene 0.14
    1,2-dimethoxyethane 11.89
    ethyl orthosilicate 0.57
    tributyl phosphate 0.42
    diacetone alcohol 3.41
    N,N-dimethylaniline 0.66
    acrylonitrile 2.05
    aniline 1.16
    1,3-propanediol 8.75
    bromobenzene 0.07
    dibromomethane 0.21
    1,1,2,2-tetrachloroethane 1.01
    2-methyl-cyclohexyl acetate 0.45
    tetrabutyl urea 1.25
    diisobutyl methanol 0.13
    2-phenylethanol 0.75
    styrene 0.13
    dioctyl adipate 0.98
    dimethyl sulfate 15.31
    ethyl butyrate 0.89
    methyl lactate 11.48
    butyl lactate 2.75
    diethyl carbonate 0.7
    propanediol butyl ether 8.89
    triethyl orthoformate 1.27
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.2
    morpholine 17.15
    tert-butylamine 0.34
    n-dodecanol 0.4
    dimethoxymethane 21.76
    ethylene carbonate 2.42
    cyrene 6.71
    2-ethoxyethyl acetate 4.07
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 2.13
    dibutyl ether 0.65
    2,6-dimethyl-4-heptanol 0.13
    DEF 5.32
    dimethyl isosorbide 6.37
    tetrachloroethylene 0.73
    eugenol 2.36
    triacetin 3.54
    span 80 4.81
    1,4-butanediol 2.73
    1,1-dichloroethane 0.24
    2-methyl-1-pentanol 0.23
    methyl formate 12.86
    2-methyl-1-butanol 0.49
    n-decane 0.06
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.18
    1-chlorotetradecane 0.07
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 2.05
    tetrahydropyran 2.68
    tert-amyl methyl ether 0.79
    2,5,8-trioxanonane 9.8
    1-hexene 0.06
    2-isopropoxyethanol 5.18
    2,2,2-trifluoroethanol 9.15
    methyl butyrate 1.38

    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