6a-(2,4-Dihydroxyphenyl)-9-[2-(2,4-dihydroxyphenyl)ethenyl]-2,11-dihydroxy-13-methyl-5,13-methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104931-21-7

    Molecular formula
    C34H26O10

    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)C=CC8=C(C=C(C=C8)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 54.64%
    Phenolic 41.49%
    Spicy 30.23%
    Vanilla 23.09%
    Sweet 21.87%
    Burnt 21.45%
    Balsamic 21.14%
    Bitter 19.5%
    Savory 19.44%
    Smoky 19.35%

     

    Flavor
    Bitter 97.46%
    Bland 21.95%
    Sweet-like 19.81%
    Cedarleaf 19.75%
    Odorless 19.59%
    Parsley 18.38%
    Lovage 18.29%
    Nitrile 18.01%
    Very strong 17.88%
    Indole 17.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    10.08 (weak base)

    Molecular weight
    594.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2789°C

    Flash point

    • 262.53 ˚C est.

  • Synonyms

    • DTXSID401099224
    • 104931-21-7
    • 6a-(2,4-Dihydroxyphenyl)-9-[2-(2,4-dihydroxyphenyl)ethenyl]-2,11-dihydroxy-13-methyl-5,13-methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one
    • 104931-21-7

  • Applications

    6a-(2,4-Dihydroxyphenyl)-9-[2-(2,4-dihydroxyphenyl)ethenyl]-2,11-dihydroxy-13-methyl-5,13-methano-5H,6aH,13H-oxireno[2,3][1]benzopyrano[4,3-d][1]benzoxocin-12(11bH)-one, CAS 104931-21-7, has practical applications as a chemical intermediate for pharmaceutical synthesis and advanced materials; it can serve as an epoxy/curing agent for epoxy resins, coatings, and adhesives due to its epoxide moiety; it is a potential dye/pigment precursor for specialty polymers or inks; it may function as an antioxidant or stabilizing additive in polymers, paints, and cosmetic formulations under applicable regulations; and it is used as a research reagent in organic synthesis to access complex polyphenolic derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.8
    methanol 4.74
    isopropanol 0.77
    water 0.02
    ethyl acetate 3.14
    n-propanol 1.47
    acetone 10.4
    n-butanol 0.79
    acetonitrile 2.92
    DMF 43.94
    toluene 0.33
    isobutanol 0.59
    1,4-dioxane 12.61
    methyl acetate 5.67
    THF 26.37
    2-butanone 7.92
    n-pentanol 0.59
    sec-butanol 0.6
    n-hexane 0.01
    ethylene glycol 4.11
    NMP 32.11
    cyclohexane 0.01
    DMSO 73.33
    n-butyl acetate 1.57
    n-octanol 0.53
    chloroform 3.15
    n-propyl acetate 2.1
    acetic acid 19.44
    dichloromethane 2.57
    cyclohexanone 7.79
    propylene glycol 4.61
    isopropyl acetate 1.73
    DMAc 46.15
    2-ethoxyethanol 10.99
    isopentanol 0.43
    n-heptane 0.01
    ethyl formate 4.73
    1,2-dichloroethane 1.49
    n-hexanol 0.3
    2-methoxyethanol 25.0
    isobutyl acetate 0.94
    tetrachloromethane 0.15
    n-pentyl acetate 1.62
    transcutol 14.25
    n-heptanol 0.46
    ethylbenzene 0.13
    MIBK 1.27
    2-propoxyethanol 10.81
    tert-butanol 0.59
    MTBE 0.51
    2-butoxyethanol 5.6
    propionic acid 5.86
    o-xylene 0.15
    formic acid 14.22
    diethyl ether 0.81
    m-xylene 0.14
    p-xylene 0.16
    chlorobenzene 0.54
    dimethyl carbonate 7.23
    n-octane 0.01
    formamide 17.38
    cyclopentanone 20.14
    2-pentanone 3.18
    anisole 1.57
    cyclopentyl methyl ether 1.61
    gamma-butyrolactone 26.51
    1-methoxy-2-propanol 13.71
    pyridine 9.25
    3-pentanone 2.42
    furfural 22.73
    n-dodecane 0.01
    diethylene glycol 11.67
    diisopropyl ether 0.11
    tert-amyl alcohol 0.54
    acetylacetone 11.03
    n-hexadecane 0.02
    acetophenone 2.62
    methyl propionate 5.33
    isopentyl acetate 1.13
    trichloroethylene 6.49
    n-nonanol 0.64
    cyclohexanol 0.5
    benzyl alcohol 1.85
    2-ethylhexanol 0.21
    isooctanol 0.32
    dipropyl ether 0.81
    1,2-dichlorobenzene 0.45
    ethyl lactate 3.62
    propylene carbonate 6.88
    n-methylformamide 19.01
    2-pentanol 0.29
    n-pentane 0.01
    1-propoxy-2-propanol 6.26
    1-methoxy-2-propyl acetate 5.66
    2-(2-methoxypropoxy) propanol 6.64
    mesitylene 0.07
    ε-caprolactone 8.13
    p-cymene 0.09
    epichlorohydrin 21.09
    1,1,1-trichloroethane 0.7
    2-aminoethanol 4.79
    morpholine-4-carbaldehyde 39.39
    sulfolane 47.79
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 3.12
    n-hexyl acetate 1.86
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.76
    sec-butyl acetate 0.96
    tert-butyl acetate 1.76
    decalin 0.01
    glycerin 16.04
    diglyme 16.31
    acrylic acid 10.89
    isopropyl myristate 0.76
    n-butyric acid 4.38
    acetyl acetate 3.51
    di(2-ethylhexyl) phthalate 1.29
    ethyl propionate 1.99
    nitromethane 50.27
    1,2-diethoxyethane 2.85
    benzonitrile 1.54
    trioctyl phosphate 0.88
    1-bromopropane 0.32
    gamma-valerolactone 65.91
    n-decanol 0.44
    triethyl phosphate 1.08
    4-methyl-2-pentanol 0.17
    propionitrile 2.02
    vinylene carbonate 8.04
    1,1,2-trichlorotrifluoroethane 33.73
    DMS 3.07
    cumene 0.07
    2-octanol 0.25
    2-hexanone 2.13
    octyl acetate 1.27
    limonene 0.12
    1,2-dimethoxyethane 15.64
    ethyl orthosilicate 0.82
    tributyl phosphate 0.94
    diacetone alcohol 4.71
    N,N-dimethylaniline 0.72
    acrylonitrile 6.05
    aniline 1.31
    1,3-propanediol 5.22
    bromobenzene 0.36
    dibromomethane 0.78
    1,1,2,2-tetrachloroethane 4.25
    2-methyl-cyclohexyl acetate 1.25
    tetrabutyl urea 1.9
    diisobutyl methanol 0.15
    2-phenylethanol 1.25
    styrene 0.19
    dioctyl adipate 1.99
    dimethyl sulfate 14.02
    ethyl butyrate 1.65
    methyl lactate 10.57
    butyl lactate 3.17
    diethyl carbonate 1.28
    propanediol butyl ether 6.17
    triethyl orthoformate 1.72
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.86
    morpholine 13.94
    tert-butylamine 0.13
    n-dodecanol 0.3
    dimethoxymethane 18.95
    ethylene carbonate 5.55
    cyrene 10.96
    2-ethoxyethyl acetate 5.2
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 0.9
    4-methylpyridine 3.43
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.15
    DEF 5.67
    dimethyl isosorbide 11.48
    tetrachloroethylene 1.93
    eugenol 3.69
    triacetin 5.13
    span 80 5.02
    1,4-butanediol 2.01
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.35
    methyl formate 17.07
    2-methyl-1-butanol 0.47
    n-decane 0.02
    butyronitrile 1.12
    3,7-dimethyl-1-octanol 0.36
    1-chlorooctane 0.12
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.18
    tetrahydropyran 2.63
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 11.97
    1-hexene 0.05
    2-isopropoxyethanol 4.4
    2,2,2-trifluoroethanol 6.51
    methyl butyrate 2.95

    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