Morusin

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  • Identifiers

    CAS number
    62596-29-6

    Molecular formula
    C25H24O6

    SMILES
    CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.13%
    Spicy 39.32%
    Fruity 31.28%
    Woody 31.23%
    Sweet 27.72%
    Odorless 25.72%
    Dry 25.45%
    Smoky 23.77%
    Medicinal 23.7%
    Animal 23.61%

     

    Flavor
    Bitter 93.18%
    Cedarleaf 20.08%
    Parsley 19.61%
    Lovage 19.3%
    Ripe apricot 18.5%
    Red fruit 18.4%
    Nitrile 18.11%
    Bland 18.09%
    Heather 17.98%
    Very strong 17.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    10.32 (weak base)

    Molecular weight
    420.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1501°C

    Melting point expt.

    • 214 - 216 °C

    Flash point

    • 267.39 ˚C est.

  • Synonyms

    • Morusin
    • 62596-29-6
    • Mulberrochromene
    • T4VGD5NP9B
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
    • DTXSID70211641
    • NSC-649220
    • CHEBI:7005
    • 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-
    • 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYLBUT-2-ENYL)PYRANO(2,3-H)CHROMEN-4-ONE
    • RefChem:159811
    • DTXCID00134132
    • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-4(8H)-one
    • MFCD09953814
    • TCMDC-124149
    • NSC649220
    • CHEMBL464006
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • Morusin, 3
    • Morusin (Standard)
    • NSC 649220
    • UNII-T4VGD5NP9B
    • MORUSIN [WHO-DD]
    • MLS000697591
    • MEGxp0_001039
    • orb1301282
    • SCHEMBL2562778
    • SCHEMBL30135419
    • ACon1_001205
    • cid_5281671
    • HY-N0622R
    • HMS2271K05
    • HY-N0622
    • BDBM50242014
    • LMPK12110912
    • MSK158865
    • AKOS032962066
    • CS-6885
    • EBC-616580
    • FM74122
    • 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYLBUT-2-EN-1-YL)-4H,8H-PYRANO[2,3-H]CHROMEN-4-ONE
    • AC-34737
    • LS-15105
    • SMR000470930
    • SY115817
    • BRD-K40169295-001-01-2
    • Q27107393
    • 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one
    • 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE
    • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
    • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
    • 4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-
    • 62596-29-6

  • Applications

    Morusin, CAS 62596-29-6, is a prenylated flavone primarily studied in pharmaceutical and biomedical contexts as a bioactive compound with potential anti-inflammatory and antiproliferative activities in vitro, and is commonly evaluated for drug discovery programs and used as an intermediate in flavonoid synthesis. It is also viewed as a phytochemical with potential in cosmetics and personal care due to antioxidant and anti-inflammatory properties, and may be considered for inclusion in cosmetic formulations. In analytical practice, morusin is frequently used as a reference standard for quantifying morusin in plant extracts by HPLC/LC-MS. Additionally, it can serve as an intermediate in the chemical synthesis of other flavonoids. Applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.06
    methanol 7.65
    isopropanol 3.91
    water 0.01
    ethyl acetate 13.01
    n-propanol 6.81
    acetone 22.45
    n-butanol 4.38
    acetonitrile 10.52
    DMF 148.91
    toluene 2.09
    isobutanol 4.78
    1,4-dioxane 28.95
    methyl acetate 24.06
    THF 71.61
    2-butanone 24.34
    n-pentanol 4.55
    sec-butanol 4.13
    n-hexane 0.06
    ethylene glycol 8.81
    NMP 184.62
    cyclohexane 0.09
    DMSO 171.82
    n-butyl acetate 14.31
    n-octanol 3.46
    chloroform 26.3
    n-propyl acetate 14.33
    acetic acid 48.29
    dichloromethane 20.22
    cyclohexanone 33.3
    propylene glycol 19.57
    isopropyl acetate 9.47
    DMAc 192.49
    2-ethoxyethanol 30.69
    isopentanol 4.24
    n-heptane 0.08
    ethyl formate 12.38
    1,2-dichloroethane 12.9
    n-hexanol 3.0
    2-methoxyethanol 63.96
    isobutyl acetate 11.5
    tetrachloromethane 1.06
    n-pentyl acetate 12.81
    transcutol 189.6
    n-heptanol 3.68
    ethylbenzene 1.15
    MIBK 9.38
    2-propoxyethanol 47.95
    tert-butanol 5.03
    MTBE 3.74
    2-butoxyethanol 26.93
    propionic acid 23.47
    o-xylene 1.48
    formic acid 22.05
    diethyl ether 2.63
    m-xylene 1.48
    p-xylene 2.07
    chlorobenzene 5.31
    dimethyl carbonate 31.41
    n-octane 0.06
    formamide 30.04
    cyclopentanone 71.02
    2-pentanone 13.02
    anisole 8.45
    cyclopentyl methyl ether 11.55
    gamma-butyrolactone 114.5
    1-methoxy-2-propanol 54.17
    pyridine 26.44
    3-pentanone 11.08
    furfural 74.35
    n-dodecane 0.11
    diethylene glycol 52.04
    diisopropyl ether 0.91
    tert-amyl alcohol 4.85
    acetylacetone 32.54
    n-hexadecane 0.13
    acetophenone 17.64
    methyl propionate 26.5
    isopentyl acetate 16.1
    trichloroethylene 52.23
    n-nonanol 3.88
    cyclohexanol 4.5
    benzyl alcohol 11.79
    2-ethylhexanol 2.74
    isooctanol 3.64
    dipropyl ether 3.91
    1,2-dichlorobenzene 6.7
    ethyl lactate 20.85
    propylene carbonate 44.65
    n-methylformamide 47.67
    2-pentanol 2.31
    n-pentane 0.05
    1-propoxy-2-propanol 35.79
    1-methoxy-2-propyl acetate 42.38
    2-(2-methoxypropoxy) propanol 47.17
    mesitylene 0.83
    ε-caprolactone 42.78
    p-cymene 1.58
    epichlorohydrin 105.77
    1,1,1-trichloroethane 9.56
    2-aminoethanol 13.96
    morpholine-4-carbaldehyde 158.53
    sulfolane 203.15
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 18.88
    n-hexyl acetate 14.61
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 54.69
    sec-butyl acetate 9.2
    tert-butyl acetate 12.04
    decalin 0.13
    glycerin 49.33
    diglyme 89.89
    acrylic acid 35.91
    isopropyl myristate 6.48
    n-butyric acid 19.8
    acetyl acetate 13.61
    di(2-ethylhexyl) phthalate 12.77
    ethyl propionate 12.85
    nitromethane 120.62
    1,2-diethoxyethane 21.9
    benzonitrile 12.84
    trioctyl phosphate 7.79
    1-bromopropane 2.91
    gamma-valerolactone 164.59
    n-decanol 2.84
    triethyl phosphate 10.93
    4-methyl-2-pentanol 2.18
    propionitrile 9.46
    vinylene carbonate 43.01
    1,1,2-trichlorotrifluoroethane 125.75
    DMS 36.12
    cumene 1.02
    2-octanol 2.31
    2-hexanone 12.34
    octyl acetate 8.98
    limonene 1.71
    1,2-dimethoxyethane 45.03
    ethyl orthosilicate 8.7
    tributyl phosphate 10.56
    diacetone alcohol 28.49
    N,N-dimethylaniline 6.94
    acrylonitrile 21.17
    aniline 8.08
    1,3-propanediol 16.74
    bromobenzene 4.51
    dibromomethane 7.42
    1,1,2,2-tetrachloroethane 42.71
    2-methyl-cyclohexyl acetate 13.67
    tetrabutyl urea 16.16
    diisobutyl methanol 2.34
    2-phenylethanol 12.05
    styrene 1.56
    dioctyl adipate 15.83
    dimethyl sulfate 76.93
    ethyl butyrate 12.43
    methyl lactate 48.47
    butyl lactate 23.4
    diethyl carbonate 10.45
    propanediol butyl ether 36.69
    triethyl orthoformate 12.99
    p-tert-butyltoluene 1.56
    methyl 4-tert-butylbenzoate 24.55
    morpholine 45.74
    tert-butylamine 1.36
    n-dodecanol 2.07
    dimethoxymethane 57.51
    ethylene carbonate 29.56
    cyrene 52.7
    2-ethoxyethyl acetate 32.78
    2-ethylhexyl acetate 11.46
    1,2,4-trichlorobenzene 15.02
    4-methylpyridine 21.17
    dibutyl ether 4.0
    2,6-dimethyl-4-heptanol 2.34
    DEF 28.04
    dimethyl isosorbide 84.21
    tetrachloroethylene 14.31
    eugenol 27.36
    triacetin 41.73
    span 80 30.7
    1,4-butanediol 6.98
    1,1-dichloroethane 8.93
    2-methyl-1-pentanol 4.35
    methyl formate 42.2
    2-methyl-1-butanol 4.47
    n-decane 0.16
    butyronitrile 6.4
    3,7-dimethyl-1-octanol 4.12
    1-chlorooctane 1.13
    1-chlorotetradecane 0.61
    n-nonane 0.11
    undecane 0.13
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 9.29
    tetrahydropyran 10.5
    tert-amyl methyl ether 3.76
    2,5,8-trioxanonane 68.94
    1-hexene 0.43
    2-isopropoxyethanol 20.21
    2,2,2-trifluoroethanol 17.58
    methyl butyrate 18.24

    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