Mulberrofuran Q

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  • Identifiers

    CAS number
    101383-35-1

    Molecular formula
    C34H24O10

    SMILES
    CC12CC(C3=C(O1)C=C(C=C3)O)C45C(C2=O)C6=C(C=C(C=C6OC4(O5)C7=C(C=C(C=C7)O)O)C8=CC9=C(O8)C=C(C=C9)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.36%
    Phenolic 44.19%
    Vanilla 25.25%
    Sweet 25.17%
    Spicy 23.51%
    Burnt 22.21%
    Balsamic 19.98%
    Creamy 19.83%
    Bitter 19.81%
    Smoky 19.29%

     

    Flavor
    Bitter 97.47%
    Bland 21.7%
    Sweet-like 19.75%
    Cedarleaf 19.27%
    Parsley 18.05%
    Very strong 17.75%
    Lovage 17.74%
    Indole 17.68%
    Odorless 17.62%
    Nitrile 17.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.56 (weak base)

    Molecular weight
    592.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2653°C

    Flash point

    • 258.96 ˚C est.

  • Synonyms

    • Mulberrofuran Q
    • 101383-35-1
    • 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzofuran-2-yl)-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-one
    • 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzofuran-2-yl)-14-methyl-3,5,15-trioxahexacyclo(12.7.1.02,4.02,12.06,11.016,21)docosa-6,8,10,16(21),17,19-hexaen-13-one
    • RefChem:160005
    • MulberrofuranQ
    • orb1684396
    • SCHEMBL16558857
    • CHEBI:186920
    • DTXSID301316869
    • BEA38335
    • HY-N5031
    • C34H24O10
    • AKOS040760575
    • DA-65703
    • CS-0032128
    • E80732
    • 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzouran-2-yl)-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-one
    • 4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxybenzofuran-2-yl)-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-one
    • 6a-(2,4-Dihydroxyphenyl)-2,11-dihydroxy-9-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-5H,6aH,11bH-5,13-methanooxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(13H)-one
    • 6a-(2,4-Dihydroxyphenyl)-2,11-dihydroxy-9-(6-hydroxy-2-benzofuranyl)-13-methyl-5,13-methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one
    • 101383-35-1

  • Applications

    Mulberrofuran Q (CAS 101383-35-1) is studied as an antioxidant and stabilizer in cosmetics and personal care formulations to limit oxidative degradation and extend product shelf life; as an antioxidant/stabilizer for polymers and coatings to reduce oxidative deterioration in plastics and coating systems; serves as a chemical intermediate or building block in organic synthesis, supporting the development of specialty chemicals and derivatives for pharmaceutical and industrial compounds; is investigated as a molecular scaffold in medicinal chemistry research; and has potential for fragrance applications in perfumery as a fragrance ingredient or fixative, depending on formulation and regulatory requirements, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.63
    methanol 1.16
    isopropanol 0.29
    water 0.01
    ethyl acetate 0.79
    n-propanol 0.55
    acetone 2.2
    n-butanol 0.33
    acetonitrile 0.73
    DMF 16.07
    toluene 0.06
    isobutanol 0.21
    1,4-dioxane 5.13
    methyl acetate 1.72
    THF 9.02
    2-butanone 2.51
    n-pentanol 0.23
    sec-butanol 0.26
    n-hexane 0.0
    ethylene glycol 1.61
    NMP 10.57
    cyclohexane 0.0
    DMSO 22.18
    n-butyl acetate 0.53
    n-octanol 0.25
    chloroform 0.72
    n-propyl acetate 0.72
    acetic acid 5.35
    dichloromethane 0.57
    cyclohexanone 2.8
    propylene glycol 1.85
    isopropyl acetate 0.44
    DMAc 15.84
    2-ethoxyethanol 5.3
    isopentanol 0.17
    n-heptane 0.0
    ethyl formate 1.63
    1,2-dichloroethane 0.32
    n-hexanol 0.09
    2-methoxyethanol 12.35
    isobutyl acetate 0.29
    tetrachloromethane 0.03
    n-pentyl acetate 0.71
    transcutol 9.49
    n-heptanol 0.19
    ethylbenzene 0.03
    MIBK 0.34
    2-propoxyethanol 4.47
    tert-butanol 0.17
    MTBE 0.13
    2-butoxyethanol 3.21
    propionic acid 1.94
    o-xylene 0.03
    formic acid 4.6
    diethyl ether 0.18
    m-xylene 0.02
    p-xylene 0.04
    chlorobenzene 0.11
    dimethyl carbonate 1.72
    n-octane 0.0
    formamide 6.05
    cyclopentanone 6.83
    2-pentanone 0.93
    anisole 0.45
    cyclopentyl methyl ether 0.45
    gamma-butyrolactone 8.98
    1-methoxy-2-propanol 5.97
    pyridine 3.17
    3-pentanone 0.64
    furfural 9.06
    n-dodecane 0.0
    diethylene glycol 5.07
    diisopropyl ether 0.02
    tert-amyl alcohol 0.18
    acetylacetone 2.63
    n-hexadecane 0.0
    acetophenone 0.81
    methyl propionate 1.39
    isopentyl acetate 0.37
    trichloroethylene 1.68
    n-nonanol 0.3
    cyclohexanol 0.19
    benzyl alcohol 0.69
    2-ethylhexanol 0.06
    isooctanol 0.13
    dipropyl ether 0.19
    1,2-dichlorobenzene 0.1
    ethyl lactate 1.32
    propylene carbonate 2.24
    n-methylformamide 6.39
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 2.45
    1-methoxy-2-propyl acetate 2.04
    2-(2-methoxypropoxy) propanol 3.49
    mesitylene 0.01
    ε-caprolactone 3.41
    p-cymene 0.02
    epichlorohydrin 7.95
    1,1,1-trichloroethane 0.12
    2-aminoethanol 1.86
    morpholine-4-carbaldehyde 17.45
    sulfolane 14.35
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.17
    n-hexyl acetate 0.83
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.16
    sec-butyl acetate 0.31
    tert-butyl acetate 0.4
    decalin 0.0
    glycerin 6.92
    diglyme 9.01
    acrylic acid 3.64
    isopropyl myristate 0.31
    n-butyric acid 1.69
    acetyl acetate 0.78
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.61
    nitromethane 15.78
    1,2-diethoxyethane 1.29
    benzonitrile 0.49
    trioctyl phosphate 0.38
    1-bromopropane 0.06
    gamma-valerolactone 31.16
    n-decanol 0.2
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.05
    propionitrile 0.59
    vinylene carbonate 2.61
    1,1,2-trichlorotrifluoroethane 13.76
    DMS 1.06
    cumene 0.01
    2-octanol 0.11
    2-hexanone 0.73
    octyl acetate 0.55
    limonene 0.02
    1,2-dimethoxyethane 7.16
    ethyl orthosilicate 0.25
    tributyl phosphate 0.39
    diacetone alcohol 1.49
    N,N-dimethylaniline 0.18
    acrylonitrile 1.76
    aniline 0.34
    1,3-propanediol 2.94
    bromobenzene 0.07
    dibromomethane 0.14
    1,1,2,2-tetrachloroethane 1.14
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 0.82
    diisobutyl methanol 0.04
    2-phenylethanol 0.42
    styrene 0.04
    dioctyl adipate 0.86
    dimethyl sulfate 3.64
    ethyl butyrate 0.54
    methyl lactate 3.47
    butyl lactate 1.48
    diethyl carbonate 0.39
    propanediol butyl ether 3.8
    triethyl orthoformate 0.58
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.03
    morpholine 5.97
    tert-butylamine 0.03
    n-dodecanol 0.13
    dimethoxymethane 5.61
    ethylene carbonate 1.81
    cyrene 4.46
    2-ethoxyethyl acetate 2.45
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 1.06
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.04
    DEF 1.85
    dimethyl isosorbide 4.77
    tetrachloroethylene 0.45
    eugenol 1.66
    triacetin 2.15
    span 80 2.56
    1,4-butanediol 0.91
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.14
    methyl formate 5.53
    2-methyl-1-butanol 0.19
    n-decane 0.01
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.47
    tetrahydropyran 0.91
    tert-amyl methyl ether 0.13
    2,5,8-trioxanonane 6.18
    1-hexene 0.01
    2-isopropoxyethanol 1.98
    2,2,2-trifluoroethanol 2.07
    methyl butyrate 1.06

    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