Erybraedin C

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  • Identifiers

    CAS number
    77263-06-0

    Molecular formula
    C25H28O4

    SMILES
    CC(=CCC1=CC2=C(C=C1O)OC[C@@H]3[C@H]2OC4=C3C=CC(=C4CC=C(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.69%
    Phenolic 39.2%
    Sweet 31.02%
    Fruity 27.69%
    Woody 25.85%
    Smoky 25.0%
    Balsamic 24.83%
    Herbal 24.22%
    Warm 21.41%
    Animal 21.06%

     

    Flavor
    Bitter 80.06%
    Cedarleaf 19.76%
    Parsley 19.61%
    Lovage 19.5%
    Basil 18.11%
    Thymol 17.86%
    Outdoor 17.79%
    Eugenol 17.76%
    Ripe apricot 17.67%
    Heather 17.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    9.0 (weak base)

    Molecular weight
    392.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1034°C

    Flash point

    • 232.32 ˚C est.

  • Synonyms

    • RefChem:921136
    • Erybraedin C
    • 77263-06-0
    • CHEMBL455372
    • (6aR,11aR)-6a,11a-Dihydro-2,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol
    • JLW4FP5CVK
    • orb1682631
    • SCHEMBL29572548
    • DTXSID901114344
    • (6aR,11aR)-2,10-Bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
    • HY-N3855
    • BDBM50311585
    • AKOS040761699
    • FS-9484
    • CS-0024342
    • (6aR,11aR)-2,10-Bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diol
    • 6a,11a-Dihydro-2,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, (6aR,11aR)-
    • 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2,10-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
    • 77263-06-0

  • Applications

    Erybraedin C (CAS 77263-06-0) is a natural organic compound that is commonly evaluated as a chemical intermediate for organic synthesis in specialty chemical and pharmaceutical development. It has been studied for its biological activity and antioxidant potential, informing early-stage research in pharma leads and nutraceutical contexts. Due to its color properties, it has been explored as a pigment/dye for coatings and inks and may be considered as a cosmetic/personal care colorant or functional additive in formulated products. In formulation work, it can also be evaluated for use in polymer or materials applications, with performance and regulatory compliance determined on a case-by-case basis. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.34
    methanol 5.53
    isopropanol 6.61
    water 0.02
    ethyl acetate 47.17
    n-propanol 8.91
    acetone 39.66
    n-butanol 10.41
    acetonitrile 12.19
    DMF 38.36
    toluene 27.7
    isobutanol 7.68
    1,4-dioxane 72.09
    methyl acetate 38.53
    THF 159.37
    2-butanone 49.02
    n-pentanol 11.62
    sec-butanol 7.12
    n-hexane 0.77
    ethylene glycol 1.7
    NMP 51.17
    cyclohexane 1.49
    DMSO 50.65
    n-butyl acetate 44.51
    n-octanol 12.77
    chloroform 232.98
    n-propyl acetate 39.12
    acetic acid 38.93
    dichloromethane 155.34
    cyclohexanone 80.41
    propylene glycol 3.88
    isopropyl acetate 42.92
    DMAc 115.37
    2-ethoxyethanol 32.0
    isopentanol 14.77
    n-heptane 1.22
    ethyl formate 19.47
    1,2-dichloroethane 73.47
    n-hexanol 15.43
    2-methoxyethanol 35.82
    isobutyl acetate 36.23
    tetrachloromethane 12.75
    n-pentyl acetate 43.55
    transcutol 219.86
    n-heptanol 13.98
    ethylbenzene 12.76
    MIBK 39.02
    2-propoxyethanol 64.37
    tert-butanol 12.56
    MTBE 20.65
    2-butoxyethanol 47.22
    propionic acid 20.08
    o-xylene 14.14
    formic acid 7.98
    diethyl ether 20.66
    m-xylene 17.58
    p-xylene 18.34
    chlorobenzene 40.43
    dimethyl carbonate 37.9
    n-octane 0.79
    formamide 13.89
    cyclopentanone 85.92
    2-pentanone 41.79
    anisole 38.12
    cyclopentyl methyl ether 45.31
    gamma-butyrolactone 85.95
    1-methoxy-2-propanol 38.73
    pyridine 63.68
    3-pentanone 38.57
    furfural 75.86
    n-dodecane 1.05
    diethylene glycol 33.39
    diisopropyl ether 9.43
    tert-amyl alcohol 10.81
    acetylacetone 76.04
    n-hexadecane 1.26
    acetophenone 45.23
    methyl propionate 40.89
    isopentyl acetate 50.73
    trichloroethylene 225.31
    n-nonanol 15.6
    cyclohexanol 13.03
    benzyl alcohol 27.98
    2-ethylhexanol 14.74
    isooctanol 15.3
    dipropyl ether 21.68
    1,2-dichlorobenzene 44.89
    ethyl lactate 23.15
    propylene carbonate 53.96
    n-methylformamide 13.91
    2-pentanol 7.88
    n-pentane 0.68
    1-propoxy-2-propanol 45.35
    1-methoxy-2-propyl acetate 78.86
    2-(2-methoxypropoxy) propanol 62.33
    mesitylene 10.03
    ε-caprolactone 72.84
    p-cymene 11.26
    epichlorohydrin 146.75
    1,1,1-trichloroethane 77.83
    2-aminoethanol 4.66
    morpholine-4-carbaldehyde 99.5
    sulfolane 95.28
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 57.01
    n-hexyl acetate 49.1
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 80.58
    sec-butyl acetate 34.24
    tert-butyl acetate 49.15
    decalin 1.76
    glycerin 10.56
    diglyme 150.41
    acrylic acid 21.11
    isopropyl myristate 24.71
    n-butyric acid 38.34
    acetyl acetate 54.68
    di(2-ethylhexyl) phthalate 27.56
    ethyl propionate 37.59
    nitromethane 73.55
    1,2-diethoxyethane 68.29
    benzonitrile 27.46
    trioctyl phosphate 19.36
    1-bromopropane 28.15
    gamma-valerolactone 149.24
    n-decanol 11.44
    triethyl phosphate 26.07
    4-methyl-2-pentanol 10.56
    propionitrile 14.32
    vinylene carbonate 56.2
    1,1,2-trichlorotrifluoroethane 100.18
    DMS 50.78
    cumene 9.88
    2-octanol 9.44
    2-hexanone 38.5
    octyl acetate 29.95
    limonene 11.91
    1,2-dimethoxyethane 75.03
    ethyl orthosilicate 26.17
    tributyl phosphate 23.79
    diacetone alcohol 49.12
    N,N-dimethylaniline 25.97
    acrylonitrile 20.51
    aniline 28.11
    1,3-propanediol 12.5
    bromobenzene 48.51
    dibromomethane 83.71
    1,1,2,2-tetrachloroethane 160.89
    2-methyl-cyclohexyl acetate 41.48
    tetrabutyl urea 30.99
    diisobutyl methanol 12.04
    2-phenylethanol 35.63
    styrene 15.82
    dioctyl adipate 40.35
    dimethyl sulfate 56.2
    ethyl butyrate 36.39
    methyl lactate 26.59
    butyl lactate 35.22
    diethyl carbonate 27.94
    propanediol butyl ether 34.16
    triethyl orthoformate 36.04
    p-tert-butyltoluene 10.99
    methyl 4-tert-butylbenzoate 52.31
    morpholine 64.93
    tert-butylamine 6.14
    n-dodecanol 8.66
    dimethoxymethane 62.69
    ethylene carbonate 47.81
    cyrene 55.2
    2-ethoxyethyl acetate 79.64
    2-ethylhexyl acetate 39.74
    1,2,4-trichlorobenzene 60.67
    4-methylpyridine 53.91
    dibutyl ether 21.89
    2,6-dimethyl-4-heptanol 12.04
    DEF 42.53
    dimethyl isosorbide 109.97
    tetrachloroethylene 80.94
    eugenol 49.45
    triacetin 71.17
    span 80 43.55
    1,4-butanediol 5.27
    1,1-dichloroethane 64.85
    2-methyl-1-pentanol 15.73
    methyl formate 16.11
    2-methyl-1-butanol 10.67
    n-decane 1.82
    butyronitrile 13.97
    3,7-dimethyl-1-octanol 16.5
    1-chlorooctane 9.37
    1-chlorotetradecane 4.38
    n-nonane 1.35
    undecane 1.32
    tert-butylcyclohexane 1.69
    cyclooctane 0.8
    cyclopentanol 13.35
    tetrahydropyran 49.65
    tert-amyl methyl ether 16.86
    2,5,8-trioxanonane 113.08
    1-hexene 4.24
    2-isopropoxyethanol 32.37
    2,2,2-trifluoroethanol 15.72
    methyl butyrate 42.25

    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