Dulxanthone B

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  • Identifiers

    CAS number
    197447-28-2

    Molecular formula
    C24H26O6

    SMILES
    CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC3=C(C2=O)C=CC(=C3O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 49.44%
    Phenolic 47.98%
    Woody 37.47%
    Smoky 31.42%
    Fruity 31.33%
    Burnt 29.97%
    Dry 29.23%
    Medicinal 23.71%
    Leathery 23.49%
    Herbal 22.75%

     

    Flavor
    Bitter 82.75%
    Parsley 20.33%
    Cedarleaf 19.77%
    Lovage 19.48%
    Broom 18.83%
    Heather 18.83%
    Eugenol 18.83%
    Bland 18.62%
    Thymol 18.46%
    Genet 18.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    10.45 (weak base)

    Molecular weight
    410.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1128°C

    Flash point

    • 257.35 ˚C est.

  • Synonyms

    • Dulxanthone B
    • 1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • 1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
    • 1,5,6-Trihydroxy-3-methoxy-2,4-diprenylxanthone
    • 197447-28-2
    • RefChem:135976
    • CHEMBL2147809
    • SCHEMBL27311487
    • SCHEMBL30830377
    • CHEBI:175288
    • DTXSID601317797
    • 197447-28-2

  • Applications

    Potential real-world applications for Dulxanthone B include serving as an organic synthesis intermediate in pharmaceutical and fine-chemical manufacturing; acting as an antioxidant and stabilizing additive for cosmetics and personal care formulations; serving as a pigment precursor for coatings, paints, and inks; functioning as a polymer and plastics additive to improve UV and oxidative stability; and being studied in pharmaceutical research as a potentially valuable xanthone scaffold for the development of new compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.8
    methanol 8.41
    isopropanol 10.18
    water 0.01
    ethyl acetate 25.44
    n-propanol 13.26
    acetone 33.44
    n-butanol 10.32
    acetonitrile 10.98
    DMF 100.9
    toluene 9.46
    isobutanol 10.69
    1,4-dioxane 30.94
    methyl acetate 37.28
    THF 108.37
    2-butanone 41.83
    n-pentanol 9.19
    sec-butanol 12.0
    n-hexane 0.6
    ethylene glycol 4.92
    NMP 186.81
    cyclohexane 0.8
    DMSO 76.37
    n-butyl acetate 18.74
    n-octanol 3.73
    chloroform 54.59
    n-propyl acetate 18.65
    acetic acid 55.12
    dichloromethane 47.09
    cyclohexanone 56.51
    propylene glycol 10.45
    isopropyl acetate 19.37
    DMAc 170.18
    2-ethoxyethanol 25.85
    isopentanol 10.52
    n-heptane 0.48
    ethyl formate 14.45
    1,2-dichloroethane 33.48
    n-hexanol 9.27
    2-methoxyethanol 41.53
    isobutyl acetate 13.32
    tetrachloromethane 5.47
    n-pentyl acetate 15.45
    transcutol 66.3
    n-heptanol 6.35
    ethylbenzene 5.22
    MIBK 18.9
    2-propoxyethanol 41.01
    tert-butanol 15.97
    MTBE 13.16
    2-butoxyethanol 24.99
    propionic acid 30.38
    o-xylene 6.64
    formic acid 13.45
    diethyl ether 10.87
    m-xylene 6.28
    p-xylene 7.39
    chlorobenzene 13.7
    dimethyl carbonate 35.64
    n-octane 0.27
    formamide 23.21
    cyclopentanone 95.92
    2-pentanone 28.04
    anisole 13.37
    cyclopentyl methyl ether 30.28
    gamma-butyrolactone 118.53
    1-methoxy-2-propanol 40.72
    pyridine 43.84
    3-pentanone 26.21
    furfural 64.24
    n-dodecane 0.24
    diethylene glycol 29.86
    diisopropyl ether 3.62
    tert-amyl alcohol 16.17
    acetylacetone 41.03
    n-hexadecane 0.28
    acetophenone 23.38
    methyl propionate 39.61
    isopentyl acetate 19.83
    trichloroethylene 89.76
    n-nonanol 4.41
    cyclohexanol 14.52
    benzyl alcohol 17.47
    2-ethylhexanol 6.49
    isooctanol 6.12
    dipropyl ether 8.26
    1,2-dichlorobenzene 14.56
    ethyl lactate 17.77
    propylene carbonate 50.15
    n-methylformamide 32.08
    2-pentanol 8.08
    n-pentane 0.58
    1-propoxy-2-propanol 26.83
    1-methoxy-2-propyl acetate 35.87
    2-(2-methoxypropoxy) propanol 26.42
    mesitylene 3.26
    ε-caprolactone 57.12
    p-cymene 4.3
    epichlorohydrin 113.86
    1,1,1-trichloroethane 29.96
    2-aminoethanol 10.69
    morpholine-4-carbaldehyde 106.57
    sulfolane 162.59
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 44.39
    n-hexyl acetate 13.95
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 31.07
    sec-butyl acetate 14.81
    tert-butyl acetate 23.3
    decalin 0.73
    glycerin 21.59
    diglyme 53.53
    acrylic acid 36.54
    isopropyl myristate 5.69
    n-butyric acid 31.67
    acetyl acetate 21.87
    di(2-ethylhexyl) phthalate 10.17
    ethyl propionate 19.44
    nitromethane 84.02
    1,2-diethoxyethane 17.97
    benzonitrile 14.35
    trioctyl phosphate 6.99
    1-bromopropane 12.88
    gamma-valerolactone 124.3
    n-decanol 3.32
    triethyl phosphate 11.8
    4-methyl-2-pentanol 6.39
    propionitrile 13.45
    vinylene carbonate 42.67
    1,1,2-trichlorotrifluoroethane 99.79
    DMS 29.68
    cumene 3.88
    2-octanol 3.96
    2-hexanone 19.24
    octyl acetate 8.05
    limonene 5.43
    1,2-dimethoxyethane 38.27
    ethyl orthosilicate 10.82
    tributyl phosphate 8.46
    diacetone alcohol 37.48
    N,N-dimethylaniline 12.05
    acrylonitrile 21.15
    aniline 19.47
    1,3-propanediol 15.71
    bromobenzene 12.28
    dibromomethane 24.95
    1,1,2,2-tetrachloroethane 68.67
    2-methyl-cyclohexyl acetate 15.98
    tetrabutyl urea 12.33
    diisobutyl methanol 4.72
    2-phenylethanol 19.17
    styrene 5.94
    dioctyl adipate 11.53
    dimethyl sulfate 67.1
    ethyl butyrate 14.18
    methyl lactate 34.48
    butyl lactate 18.66
    diethyl carbonate 11.2
    propanediol butyl ether 19.52
    triethyl orthoformate 13.17
    p-tert-butyltoluene 4.2
    methyl 4-tert-butylbenzoate 24.86
    morpholine 51.42
    tert-butylamine 6.74
    n-dodecanol 2.5
    dimethoxymethane 56.56
    ethylene carbonate 32.7
    cyrene 39.5
    2-ethoxyethyl acetate 28.94
    2-ethylhexyl acetate 15.34
    1,2,4-trichlorobenzene 24.03
    4-methylpyridine 36.87
    dibutyl ether 4.37
    2,6-dimethyl-4-heptanol 4.72
    DEF 44.26
    dimethyl isosorbide 52.9
    tetrachloroethylene 38.1
    eugenol 24.23
    triacetin 23.85
    span 80 20.95
    1,4-butanediol 6.6
    1,1-dichloroethane 27.52
    2-methyl-1-pentanol 10.53
    methyl formate 28.0
    2-methyl-1-butanol 11.61
    n-decane 0.36
    butyronitrile 10.59
    3,7-dimethyl-1-octanol 4.92
    1-chlorooctane 1.95
    1-chlorotetradecane 1.01
    n-nonane 0.3
    undecane 0.28
    tert-butylcyclohexane 0.64
    cyclooctane 0.31
    cyclopentanol 23.09
    tetrahydropyran 25.13
    tert-amyl methyl ether 12.72
    2,5,8-trioxanonane 36.81
    1-hexene 2.94
    2-isopropoxyethanol 20.53
    2,2,2-trifluoroethanol 21.7
    methyl butyrate 24.5

    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