Morusignin B

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  • Identifiers

    CAS number
    127716-76-1

    Molecular formula
    C18H16O6

    SMILES
    CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.49%
    Odorless 41.56%
    Spicy 34.96%
    Burnt 33.17%
    Smoky 29.19%
    Woody 27.01%
    Medicinal 26.88%
    Dry 23.17%
    Leathery 20.36%
    Animal 20.35%

     

    Flavor
    Bitter 91.97%
    Odorless 22.24%
    Cedarleaf 20.65%
    Parsley 19.89%
    Lovage 19.74%
    Nitrile 19.37%
    Sweet-like 19.24%
    Eugenol 19.15%
    Bland 19.14%
    Very strong 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.47 (weak base)

    Molecular weight
    328.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    953°C

    Melting point expt.

    • 259 - 261 °C

    Flash point

    • 259.08 ˚C est.

  • Synonyms

    • Morusignin B
    • 1,3,5,8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
    • SCHEMBL27311477
    • CHEBI:174399
    • DTXSID801174709
    • 127716-76-1
    • 1,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone
    • 1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
    • 1,3,5,8-Tetrahydroxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
    • 127716-76-1

  • Applications

    Morusignin B (CAS 127716-76-1) is a natural polyphenolic compound that has attracted interest as a synthetic scaffold for medicinal chemistry and lead generation. In practical terms, it may serve as a lead compound in pharmaceutical research and be used as an analytical reference standard in laboratories. Owing to the antioxidant properties typical of polyphenols, Morusignin B is often evaluated for cosmetic and personal care applications as an antioxidant ingredient, and may be considered as a stabilizer or antioxidant additive in polymers, coatings, and inks. In addition, it can function as a synthetic intermediate in organic synthesis. It may also be explored as a functional ingredient for foods or nutraceuticals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.46
    methanol 12.01
    isopropanol 13.69
    water 0.02
    ethyl acetate 10.55
    n-propanol 17.87
    acetone 19.34
    n-butanol 13.23
    acetonitrile 9.3
    DMF 165.52
    toluene 1.17
    isobutanol 11.48
    1,4-dioxane 22.07
    methyl acetate 19.43
    THF 133.97
    2-butanone 28.01
    n-pentanol 9.4
    sec-butanol 13.23
    n-hexane 0.06
    ethylene glycol 22.54
    NMP 166.46
    cyclohexane 0.1
    DMSO 483.69
    n-butyl acetate 9.7
    n-octanol 2.6
    chloroform 1.34
    n-propyl acetate 11.11
    acetic acid 36.81
    dichloromethane 1.57
    cyclohexanone 39.74
    propylene glycol 43.74
    isopropyl acetate 8.32
    DMAc 197.88
    2-ethoxyethanol 50.08
    isopentanol 11.23
    n-heptane 0.09
    ethyl formate 10.78
    1,2-dichloroethane 2.95
    n-hexanol 6.32
    2-methoxyethanol 152.86
    isobutyl acetate 6.32
    tetrachloromethane 0.31
    n-pentyl acetate 6.82
    transcutol 79.18
    n-heptanol 4.24
    ethylbenzene 0.81
    MIBK 9.34
    2-propoxyethanol 58.02
    tert-butanol 18.25
    MTBE 3.95
    2-butoxyethanol 24.75
    propionic acid 27.41
    o-xylene 1.11
    formic acid 23.07
    diethyl ether 2.65
    m-xylene 1.02
    p-xylene 1.28
    chlorobenzene 1.35
    dimethyl carbonate 19.83
    n-octane 0.05
    formamide 47.96
    cyclopentanone 93.66
    2-pentanone 16.19
    anisole 5.58
    cyclopentyl methyl ether 14.46
    gamma-butyrolactone 106.65
    1-methoxy-2-propanol 109.03
    pyridine 20.71
    3-pentanone 10.13
    furfural 52.84
    n-dodecane 0.07
    diethylene glycol 74.98
    diisopropyl ether 0.81
    tert-amyl alcohol 14.17
    acetylacetone 26.87
    n-hexadecane 0.08
    acetophenone 11.82
    methyl propionate 23.43
    isopentyl acetate 9.74
    trichloroethylene 7.17
    n-nonanol 2.97
    cyclohexanol 10.78
    benzyl alcohol 11.89
    2-ethylhexanol 3.74
    isooctanol 3.76
    dipropyl ether 3.39
    1,2-dichlorobenzene 1.51
    ethyl lactate 18.59
    propylene carbonate 30.93
    n-methylformamide 56.54
    2-pentanol 6.56
    n-pentane 0.05
    1-propoxy-2-propanol 35.62
    1-methoxy-2-propyl acetate 26.0
    2-(2-methoxypropoxy) propanol 26.95
    mesitylene 0.61
    ε-caprolactone 40.83
    p-cymene 1.17
    epichlorohydrin 73.87
    1,1,1-trichloroethane 1.76
    2-aminoethanol 37.89
    morpholine-4-carbaldehyde 113.31
    sulfolane 216.79
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 29.71
    n-hexyl acetate 7.07
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 35.15
    sec-butyl acetate 6.9
    tert-butyl acetate 11.67
    decalin 0.11
    glycerin 102.7
    diglyme 55.37
    acrylic acid 32.33
    isopropyl myristate 3.25
    n-butyric acid 25.38
    acetyl acetate 7.03
    di(2-ethylhexyl) phthalate 6.55
    ethyl propionate 10.56
    nitromethane 77.19
    1,2-diethoxyethane 10.65
    benzonitrile 8.18
    trioctyl phosphate 5.07
    1-bromopropane 1.19
    gamma-valerolactone 139.13
    n-decanol 2.4
    triethyl phosphate 7.16
    4-methyl-2-pentanol 4.32
    propionitrile 10.72
    vinylene carbonate 21.65
    1,1,2-trichlorotrifluoroethane 77.88
    DMS 13.94
    cumene 0.7
    2-octanol 2.25
    2-hexanone 12.99
    octyl acetate 4.98
    limonene 1.5
    1,2-dimethoxyethane 49.79
    ethyl orthosilicate 6.06
    tributyl phosphate 6.0
    diacetone alcohol 46.24
    N,N-dimethylaniline 5.08
    acrylonitrile 19.49
    aniline 8.04
    1,3-propanediol 55.72
    bromobenzene 0.81
    dibromomethane 0.87
    1,1,2,2-tetrachloroethane 7.83
    2-methyl-cyclohexyl acetate 9.18
    tetrabutyl urea 9.68
    diisobutyl methanol 2.74
    2-phenylethanol 11.77
    styrene 0.86
    dioctyl adipate 7.56
    dimethyl sulfate 52.2
    ethyl butyrate 8.08
    methyl lactate 48.66
    butyl lactate 14.8
    diethyl carbonate 6.15
    propanediol butyl ether 24.95
    triethyl orthoformate 7.99
    p-tert-butyltoluene 1.14
    methyl 4-tert-butylbenzoate 13.82
    morpholine 57.77
    tert-butylamine 3.72
    n-dodecanol 1.81
    dimethoxymethane 58.75
    ethylene carbonate 18.16
    cyrene 43.02
    2-ethoxyethyl acetate 14.38
    2-ethylhexyl acetate 6.75
    1,2,4-trichlorobenzene 3.46
    4-methylpyridine 16.61
    dibutyl ether 2.04
    2,6-dimethyl-4-heptanol 2.74
    DEF 29.91
    dimethyl isosorbide 49.11
    tetrachloroethylene 3.17
    eugenol 17.45
    triacetin 14.41
    span 80 19.96
    1,4-butanediol 15.37
    1,1-dichloroethane 1.51
    2-methyl-1-pentanol 8.24
    methyl formate 33.0
    2-methyl-1-butanol 11.08
    n-decane 0.1
    butyronitrile 8.18
    3,7-dimethyl-1-octanol 3.31
    1-chlorooctane 0.52
    1-chlorotetradecane 0.35
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.1
    cyclooctane 0.04
    cyclopentanol 23.34
    tetrahydropyran 11.73
    tert-amyl methyl ether 4.68
    2,5,8-trioxanonane 42.48
    1-hexene 0.43
    2-isopropoxyethanol 26.91
    2,2,2-trifluoroethanol 15.22
    methyl butyrate 16.41

    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