Mulberranol

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  • Identifiers

    CAS number
    62393-99-1

    Molecular formula
    C25H26O7

    SMILES
    CC(=CCC1=C(OC2=CC3=C(CC(O3)C(C)(C)O)C(=C2C1=O)O)C4=C(C=C(C=C4)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.19%
    Spicy 33.09%
    Sweet 32.03%
    Odorless 31.55%
    Woody 28.92%
    Fruity 26.44%
    Dry 24.64%
    Balsamic 24.53%
    Animal 24.21%
    Smoky 23.39%

     

    Flavor
    Bitter 90.37%
    Bland 22.12%
    Odorless 21.19%
    Cedarleaf 20.45%
    Parsley 19.83%
    Lovage 19.34%
    Sweet-like 18.94%
    Heather 18.66%
    Broom 18.58%
    Ripe apricot 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.22 (weak base)

    Molecular weight
    438.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1738°C

    Flash point

    • 287.62 ˚C est.

  • Synonyms

    • Mulberranol
    • 62393-99-1
    • CHEMBL4592493
    • CHEBI:175532
    • DTXSID801102237
    • 7-(2,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-4-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-6-(3-METHYL-2-BUTENYL)-5H-FURO[3,2-G][1]BENZOPYRAN-5-ONE
    • DB-325571
    • 5H-Furo[3,2-g][1]benzopyran-5-one, 7-(2,4-dihydroxyphenyl)-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-6-(3-methyl-2-butenyl)-
    • 7-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrouro[3,2-g]chromen-5-one
    • 62393-99-1

  • Applications

    Mulberranol, CAS 62393-99-1, is primarily used as an intermediate in organic synthesis, enabling access to more complex mulberry-derived structures. It may be used as an antioxidant additive or stabilizer in cosmetics and personal care formulations to help extend product shelf life and protect components from oxidation. It can serve as an additive in polymers and coatings to improve oxidative stability of materials. In perfumery, it may be evaluated as a fragrance material or odorant, with potential fixation properties in certain formulations. It may also function as a pharmaceutical synthesis intermediate or be explored in agricultural product development, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.2
    methanol 22.88
    isopropanol 6.42
    water 0.04
    ethyl acetate 14.04
    n-propanol 10.34
    acetone 38.78
    n-butanol 6.09
    acetonitrile 14.05
    DMF 241.23
    toluene 1.49
    isobutanol 5.8
    1,4-dioxane 41.65
    methyl acetate 28.11
    THF 99.35
    2-butanone 33.33
    n-pentanol 6.4
    sec-butanol 5.69
    n-hexane 0.06
    ethylene glycol 18.79
    NMP 189.8
    cyclohexane 0.1
    DMSO 320.2
    n-butyl acetate 13.35
    n-octanol 4.81
    chloroform 29.53
    n-propyl acetate 16.41
    acetic acid 100.93
    dichloromethane 21.24
    cyclohexanone 42.58
    propylene glycol 34.2
    isopropyl acetate 9.93
    DMAc 260.75
    2-ethoxyethanol 57.31
    isopentanol 5.31
    n-heptane 0.08
    ethyl formate 17.57
    1,2-dichloroethane 12.32
    n-hexanol 3.68
    2-methoxyethanol 120.41
    isobutyl acetate 12.09
    tetrachloromethane 1.14
    n-pentyl acetate 14.5
    transcutol 220.18
    n-heptanol 4.7
    ethylbenzene 0.95
    MIBK 10.74
    2-propoxyethanol 72.15
    tert-butanol 7.55
    MTBE 4.24
    2-butoxyethanol 39.93
    propionic acid 32.12
    o-xylene 1.09
    formic acid 59.16
    diethyl ether 3.43
    m-xylene 1.1
    p-xylene 1.82
    chlorobenzene 4.2
    dimethyl carbonate 35.21
    n-octane 0.06
    formamide 70.55
    cyclopentanone 90.76
    2-pentanone 15.97
    anisole 9.03
    cyclopentyl methyl ether 10.94
    gamma-butyrolactone 134.35
    1-methoxy-2-propanol 91.86
    pyridine 28.94
    3-pentanone 12.98
    furfural 94.07
    n-dodecane 0.11
    diethylene glycol 89.34
    diisopropyl ether 0.91
    tert-amyl alcohol 6.28
    acetylacetone 44.01
    n-hexadecane 0.13
    acetophenone 19.84
    methyl propionate 27.79
    isopentyl acetate 14.76
    trichloroethylene 52.25
    n-nonanol 5.09
    cyclohexanol 5.22
    benzyl alcohol 14.36
    2-ethylhexanol 2.77
    isooctanol 4.41
    dipropyl ether 4.14
    1,2-dichlorobenzene 5.21
    ethyl lactate 27.81
    propylene carbonate 50.14
    n-methylformamide 84.68
    2-pentanol 3.08
    n-pentane 0.05
    1-propoxy-2-propanol 46.59
    1-methoxy-2-propyl acetate 43.04
    2-(2-methoxypropoxy) propanol 54.57
    mesitylene 0.63
    ε-caprolactone 47.24
    p-cymene 1.17
    epichlorohydrin 122.41
    1,1,1-trichloroethane 8.72
    2-aminoethanol 26.53
    morpholine-4-carbaldehyde 204.53
    sulfolane 240.52
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 18.49
    n-hexyl acetate 16.09
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 72.13
    sec-butyl acetate 9.38
    tert-butyl acetate 13.37
    decalin 0.11
    glycerin 102.95
    diglyme 113.4
    acrylic acid 50.99
    isopropyl myristate 6.56
    n-butyric acid 26.47
    acetyl acetate 15.89
    di(2-ethylhexyl) phthalate 13.13
    ethyl propionate 12.82
    nitromethane 205.29
    1,2-diethoxyethane 23.98
    benzonitrile 12.86
    trioctyl phosphate 8.59
    1-bromopropane 2.77
    gamma-valerolactone 229.33
    n-decanol 3.54
    triethyl phosphate 10.13
    4-methyl-2-pentanol 2.6
    propionitrile 12.15
    vinylene carbonate 50.83
    1,1,2-trichlorotrifluoroethane 166.61
    DMS 31.37
    cumene 0.84
    2-octanol 3.03
    2-hexanone 16.27
    octyl acetate 9.56
    limonene 1.36
    1,2-dimethoxyethane 77.88
    ethyl orthosilicate 8.27
    tributyl phosphate 10.83
    diacetone alcohol 39.73
    N,N-dimethylaniline 7.37
    acrylonitrile 28.76
    aniline 6.7
    1,3-propanediol 32.32
    bromobenzene 3.38
    dibromomethane 7.37
    1,1,2,2-tetrachloroethane 42.28
    2-methyl-cyclohexyl acetate 14.04
    tetrabutyl urea 16.82
    diisobutyl methanol 2.09
    2-phenylethanol 13.0
    styrene 1.28
    dioctyl adipate 15.43
    dimethyl sulfate 86.33
    ethyl butyrate 10.61
    methyl lactate 67.41
    butyl lactate 29.09
    diethyl carbonate 9.07
    propanediol butyl ether 59.34
    triethyl orthoformate 12.59
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 26.66
    morpholine 59.87
    tert-butylamine 1.58
    n-dodecanol 2.47
    dimethoxymethane 86.64
    ethylene carbonate 34.44
    cyrene 74.82
    2-ethoxyethyl acetate 35.02
    2-ethylhexyl acetate 10.16
    1,2,4-trichlorobenzene 11.41
    4-methylpyridine 19.76
    dibutyl ether 4.36
    2,6-dimethyl-4-heptanol 2.09
    DEF 31.65
    dimethyl isosorbide 91.72
    tetrachloroethylene 14.65
    eugenol 34.48
    triacetin 45.69
    span 80 39.04
    1,4-butanediol 14.0
    1,1-dichloroethane 8.53
    2-methyl-1-pentanol 5.36
    methyl formate 72.85
    2-methyl-1-butanol 5.27
    n-decane 0.17
    butyronitrile 8.04
    3,7-dimethyl-1-octanol 4.67
    1-chlorooctane 1.2
    1-chlorotetradecane 0.59
    n-nonane 0.13
    undecane 0.13
    tert-butylcyclohexane 0.09
    cyclooctane 0.04
    cyclopentanol 10.45
    tetrahydropyran 11.93
    tert-amyl methyl ether 3.92
    2,5,8-trioxanonane 88.89
    1-hexene 0.44
    2-isopropoxyethanol 32.8
    2,2,2-trifluoroethanol 33.02
    methyl butyrate 19.16

    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