Dulxanthone C

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  • Identifiers

    CAS number
    4178-45-4

    Molecular formula
    C25H28O6

    SMILES
    CC(=CCC1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3O)OC)CC=C(C)C)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 51.98%
    Woody 43.45%
    Phenolic 41.7%
    Fruity 37.17%
    Dry 30.98%
    Smoky 28.01%
    Burnt 26.02%
    Herbal 25.36%
    Sweet 23.58%
    Leathery 23.46%

     

    Flavor
    Bitter 76.05%
    Parsley 20.99%
    Cedarleaf 19.67%
    Lovage 19.51%
    Heather 18.98%
    Broom 18.97%
    Eugenol 18.96%
    Genet 18.6%
    Bland 18.58%
    Thymol 18.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    10.21 (weak base)

    Molecular weight
    424.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1150°C

    Melting point expt.

    • 200 °C

    Flash point

    • 238.27 ˚C est.

  • Synonyms

    • Dulxanthone C
    • 1,5-dihydroxy-3,6-dimethoxy-4,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
    • CHEBI:175405
    • DTXSID101144329
    • 1,5-dihydroxy-3,6-dimethoxy-4,8-bis(3-methylbut-2-enyl)xanthen-9-one
    • 4178-45-4
    • 1,5-Dihydroxy-3,6-dimethoxy-4,8-diprenylxanthone
    • 1,5-Dihydroxy-3,6-dimethoxy-4,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 4178-45-4

  • Applications

    Dulxanthone C (CAS 4178-45-4) is a polyphenol xanthone derivative and is considered for multiple applications in industry. It may serve as an intermediate in organic synthesis; it can function as a stabilizer or antioxidant in polymers and coatings; it may be used as a colorant or pigment component for plastics or inks; it may be evaluated for cosmetics and personal care applications as an antioxidant or specialty active ingredient; and it may also serve as a scaffold or precursor in medicinal chemistry research, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.47
    methanol 7.7
    isopropanol 12.21
    water 0.01
    ethyl acetate 45.56
    n-propanol 17.07
    acetone 52.8
    n-butanol 14.96
    acetonitrile 19.53
    DMF 123.08
    toluene 16.01
    isobutanol 15.38
    1,4-dioxane 40.48
    methyl acetate 58.86
    THF 123.36
    2-butanone 65.0
    n-pentanol 12.69
    sec-butanol 17.52
    n-hexane 1.01
    ethylene glycol 5.23
    NMP 207.47
    cyclohexane 1.58
    DMSO 107.04
    n-butyl acetate 27.93
    n-octanol 4.72
    chloroform 179.71
    n-propyl acetate 27.91
    acetic acid 75.46
    dichloromethane 147.13
    cyclohexanone 84.59
    propylene glycol 10.88
    isopropyl acetate 30.29
    DMAc 195.47
    2-ethoxyethanol 29.82
    isopentanol 15.22
    n-heptane 0.7
    ethyl formate 26.07
    1,2-dichloroethane 85.09
    n-hexanol 12.69
    2-methoxyethanol 45.77
    isobutyl acetate 18.89
    tetrachloromethane 16.1
    n-pentyl acetate 21.03
    transcutol 71.4
    n-heptanol 7.39
    ethylbenzene 8.66
    MIBK 26.18
    2-propoxyethanol 45.28
    tert-butanol 18.74
    MTBE 17.47
    2-butoxyethanol 26.2
    propionic acid 44.66
    o-xylene 11.75
    formic acid 17.13
    diethyl ether 17.46
    m-xylene 10.35
    p-xylene 11.22
    chlorobenzene 33.54
    dimethyl carbonate 53.33
    n-octane 0.35
    formamide 30.89
    cyclopentanone 133.1
    2-pentanone 45.54
    anisole 21.07
    cyclopentyl methyl ether 42.58
    gamma-butyrolactone 160.0
    1-methoxy-2-propanol 44.66
    pyridine 66.76
    3-pentanone 43.68
    furfural 102.77
    n-dodecane 0.31
    diethylene glycol 31.0
    diisopropyl ether 5.36
    tert-amyl alcohol 21.17
    acetylacetone 64.74
    n-hexadecane 0.36
    acetophenone 33.18
    methyl propionate 62.65
    isopentyl acetate 27.32
    trichloroethylene 226.19
    n-nonanol 5.47
    cyclohexanol 22.82
    benzyl alcohol 24.74
    2-ethylhexanol 9.06
    isooctanol 6.91
    dipropyl ether 10.8
    1,2-dichlorobenzene 35.36
    ethyl lactate 24.18
    propylene carbonate 78.74
    n-methylformamide 47.15
    2-pentanol 12.57
    n-pentane 1.05
    1-propoxy-2-propanol 30.85
    1-methoxy-2-propyl acetate 48.93
    2-(2-methoxypropoxy) propanol 32.91
    mesitylene 5.29
    ε-caprolactone 80.68
    p-cymene 6.25
    epichlorohydrin 178.68
    1,1,1-trichloroethane 76.86
    2-aminoethanol 11.13
    morpholine-4-carbaldehyde 125.83
    sulfolane 218.57
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 63.47
    n-hexyl acetate 19.92
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 33.24
    sec-butyl acetate 21.2
    tert-butyl acetate 30.36
    decalin 1.32
    glycerin 22.3
    diglyme 63.4
    acrylic acid 53.33
    isopropyl myristate 7.75
    n-butyric acid 49.84
    acetyl acetate 41.86
    di(2-ethylhexyl) phthalate 13.98
    ethyl propionate 29.88
    nitromethane 136.44
    1,2-diethoxyethane 20.61
    benzonitrile 23.87
    trioctyl phosphate 9.13
    1-bromopropane 31.86
    gamma-valerolactone 157.5
    n-decanol 4.02
    triethyl phosphate 17.61
    4-methyl-2-pentanol 8.56
    propionitrile 22.41
    vinylene carbonate 70.53
    1,1,2-trichlorotrifluoroethane 166.47
    DMS 42.92
    cumene 6.06
    2-octanol 4.56
    2-hexanone 27.08
    octyl acetate 11.4
    limonene 8.69
    1,2-dimethoxyethane 44.88
    ethyl orthosilicate 15.27
    tributyl phosphate 11.92
    diacetone alcohol 44.4
    N,N-dimethylaniline 17.45
    acrylonitrile 34.86
    aniline 34.1
    1,3-propanediol 17.87
    bromobenzene 32.39
    dibromomethane 77.67
    1,1,2,2-tetrachloroethane 163.41
    2-methyl-cyclohexyl acetate 23.15
    tetrabutyl urea 16.55
    diisobutyl methanol 5.92
    2-phenylethanol 24.25
    styrene 10.33
    dioctyl adipate 16.57
    dimethyl sulfate 104.42
    ethyl butyrate 21.3
    methyl lactate 45.3
    butyl lactate 23.58
    diethyl carbonate 18.73
    propanediol butyl ether 20.16
    triethyl orthoformate 18.22
    p-tert-butyltoluene 5.87
    methyl 4-tert-butylbenzoate 31.9
    morpholine 66.25
    tert-butylamine 8.88
    n-dodecanol 3.05
    dimethoxymethane 62.27
    ethylene carbonate 54.46
    cyrene 45.57
    2-ethoxyethyl acetate 38.53
    2-ethylhexyl acetate 22.4
    1,2,4-trichlorobenzene 54.39
    4-methylpyridine 59.4
    dibutyl ether 6.02
    2,6-dimethyl-4-heptanol 5.92
    DEF 65.6
    dimethyl isosorbide 62.46
    tetrachloroethylene 91.39
    eugenol 30.6
    triacetin 33.54
    span 80 25.0
    1,4-butanediol 7.95
    1,1-dichloroethane 69.87
    2-methyl-1-pentanol 15.1
    methyl formate 43.04
    2-methyl-1-butanol 18.38
    n-decane 0.48
    butyronitrile 19.04
    3,7-dimethyl-1-octanol 6.31
    1-chlorooctane 3.14
    1-chlorotetradecane 1.48
    n-nonane 0.4
    undecane 0.37
    tert-butylcyclohexane 1.01
    cyclooctane 0.56
    cyclopentanol 32.39
    tetrahydropyran 38.57
    tert-amyl methyl ether 18.72
    2,5,8-trioxanonane 45.46
    1-hexene 5.27
    2-isopropoxyethanol 24.37
    2,2,2-trifluoroethanol 38.68
    methyl butyrate 37.04

    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