Bellidifolin

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  • Identifiers

    CAS number
    2798-25-6

    Molecular formula
    C14H10O6

    SMILES
    COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.96%
    Odorless 51.43%
    Burnt 35.9%
    Smoky 26.66%
    Medicinal 26.05%
    Spicy 25.85%
    Vanilla 23.47%
    Balsamic 21.73%
    Woody 20.38%
    Bitter 20.16%

     

    Flavor
    Bitter 93.13%
    Odorless 25.07%
    Bland 21.51%
    Sweet-like 20.99%
    Cedarleaf 20.49%
    Parsley 20.18%
    Eugenol 19.84%
    Very strong 19.83%
    Lovage 19.7%
    Nitrile 19.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.67 (weak base)

    Molecular weight
    274.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    643°C

    Flash point

    • 235.09 ˚C est.

  • Synonyms

    • Bellidifolin
    • 2798-25-6
    • 1,5,8-Trihydroxy-3-methoxy-9H-xanthen-9-one
    • Bellidifoline
    • Bellidifolium
    • 3-Methoxy-1,5,8-trihydroxyxanthone
    • 1,5,8-trihydroxy-3-methoxyxanthen-9-one
    • 9H-Xanthen-9-one, 1,5,8-trihydroxy-3-methoxy-
    • CHEBI:3008
    • X522Q6XJR9
    • DTXSID30182262
    • RefChem:916815
    • DTXCID40104753
    • Bellidifodin
    • Xanthen-9-one, 3-methoxy-1,5,8-trihydroxy-
    • CHEMBL185776
    • 1,5,8-Trihydroxy-3-methoxy-xanthen-9-one
    • MFCD00808528
    • CCRIS 5471
    • 1,5,8-trihydroxy-3-methoxyxanthone
    • BRN 0288441
    • 3-Methoxy-1,5,8-trihydroxyxanthen-9-one
    • Xanthen-9-one, 1.1
    • MLS002473044
    • orb1303703
    • SCHEMBL27748397
    • SCHEMBL30581199
    • SCHEMBL30581201
    • HMS2270C16
    • CAA79825
    • HY-N2000
    • BDBM50155420
    • AKOS016010654
    • 1,5,8-trihydroxyl-3-methoxy xanthone
    • EBC-616623
    • NCGC00247483-01
    • 3-Methoxy-1,5,8-trihyroxyxanthen-9-one
    • AC-34445
    • DA-69974
    • MS-23889
    • SMR001397148
    • CS-0018319
    • C10053
    • Xanthen-9-one, 1,5,8-trihydroxy-3-methoxy-
    • AA-504/21125001
    • Q27067443
    • 2798-25-6

  • Applications

    Bellidifolin (CAS 2798-25-6) is primarily encountered as a natural product and research chemical, commonly used as an intermediate in organic synthesis and as a reference material for analytical characterization; it is often evaluated in medicinal chemistry and pharmacognosy for bioactivity, and is occasionally investigated for cosmetic or personal-care applications as a potential bioactive ingredient, with all uses subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.28
    methanol 8.36
    isopropanol 5.99
    water 0.02
    ethyl acetate 9.82
    n-propanol 6.69
    acetone 9.25
    n-butanol 7.46
    acetonitrile 5.19
    DMF 81.49
    toluene 0.33
    isobutanol 4.44
    1,4-dioxane 8.39
    methyl acetate 9.29
    THF 90.65
    2-butanone 15.06
    n-pentanol 4.15
    sec-butanol 5.91
    n-hexane 0.06
    ethylene glycol 11.5
    NMP 84.74
    cyclohexane 0.08
    DMSO 506.15
    n-butyl acetate 8.14
    n-octanol 2.32
    chloroform 0.44
    n-propyl acetate 7.6
    acetic acid 10.83
    dichloromethane 0.69
    cyclohexanone 20.67
    propylene glycol 8.67
    isopropyl acetate 5.99
    DMAc 109.43
    2-ethoxyethanol 24.33
    isopentanol 6.51
    n-heptane 0.11
    ethyl formate 8.72
    1,2-dichloroethane 1.77
    n-hexanol 4.26
    2-methoxyethanol 83.36
    isobutyl acetate 2.78
    tetrachloromethane 0.22
    n-pentyl acetate 4.08
    transcutol 30.45
    n-heptanol 2.7
    ethylbenzene 0.46
    MIBK 6.82
    2-propoxyethanol 34.46
    tert-butanol 8.24
    MTBE 2.03
    2-butoxyethanol 13.0
    propionic acid 9.24
    o-xylene 0.55
    formic acid 15.05
    diethyl ether 2.28
    m-xylene 0.45
    p-xylene 0.6
    chlorobenzene 0.43
    dimethyl carbonate 11.6
    n-octane 0.06
    formamide 36.69
    cyclopentanone 48.11
    2-pentanone 13.0
    anisole 2.65
    cyclopentyl methyl ether 11.54
    gamma-butyrolactone 53.92
    1-methoxy-2-propanol 53.8
    pyridine 5.88
    3-pentanone 7.34
    furfural 27.88
    n-dodecane 0.08
    diethylene glycol 45.27
    diisopropyl ether 0.66
    tert-amyl alcohol 7.58
    acetylacetone 15.78
    n-hexadecane 0.1
    acetophenone 5.81
    methyl propionate 15.82
    isopentyl acetate 6.03
    trichloroethylene 2.54
    n-nonanol 2.4
    cyclohexanol 6.36
    benzyl alcohol 4.66
    2-ethylhexanol 2.95
    isooctanol 2.19
    dipropyl ether 3.38
    1,2-dichlorobenzene 0.71
    ethyl lactate 11.13
    propylene carbonate 15.33
    n-methylformamide 37.18
    2-pentanol 3.98
    n-pentane 0.05
    1-propoxy-2-propanol 21.84
    1-methoxy-2-propyl acetate 16.75
    2-(2-methoxypropoxy) propanol 14.47
    mesitylene 0.35
    ε-caprolactone 21.16
    p-cymene 0.9
    epichlorohydrin 40.26
    1,1,1-trichloroethane 0.78
    2-aminoethanol 13.44
    morpholine-4-carbaldehyde 54.07
    sulfolane 121.38
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 18.18
    n-hexyl acetate 4.8
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 17.53
    sec-butyl acetate 3.94
    tert-butyl acetate 7.13
    decalin 0.1
    glycerin 37.14
    diglyme 30.36
    acrylic acid 10.57
    isopropyl myristate 2.18
    n-butyric acid 12.52
    acetyl acetate 4.08
    di(2-ethylhexyl) phthalate 3.38
    ethyl propionate 8.51
    nitromethane 36.48
    1,2-diethoxyethane 6.12
    benzonitrile 3.57
    trioctyl phosphate 3.03
    1-bromopropane 0.99
    gamma-valerolactone 60.27
    n-decanol 1.88
    triethyl phosphate 5.84
    4-methyl-2-pentanol 2.66
    propionitrile 7.18
    vinylene carbonate 9.62
    1,1,2-trichlorotrifluoroethane 37.35
    DMS 7.31
    cumene 0.45
    2-octanol 1.66
    2-hexanone 7.97
    octyl acetate 3.1
    limonene 1.26
    1,2-dimethoxyethane 35.93
    ethyl orthosilicate 4.48
    tributyl phosphate 3.83
    diacetone alcohol 27.06
    N,N-dimethylaniline 2.74
    acrylonitrile 11.29
    aniline 2.51
    1,3-propanediol 26.75
    bromobenzene 0.28
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 3.24
    2-methyl-cyclohexyl acetate 5.09
    tetrabutyl urea 6.19
    diisobutyl methanol 2.05
    2-phenylethanol 5.73
    styrene 0.37
    dioctyl adipate 4.17
    dimethyl sulfate 35.69
    ethyl butyrate 7.03
    methyl lactate 27.0
    butyl lactate 7.32
    diethyl carbonate 5.22
    propanediol butyl ether 10.14
    triethyl orthoformate 5.77
    p-tert-butyltoluene 0.77
    methyl 4-tert-butylbenzoate 7.5
    morpholine 22.39
    tert-butylamine 1.94
    n-dodecanol 1.41
    dimethoxymethane 38.41
    ethylene carbonate 9.24
    cyrene 20.24
    2-ethoxyethyl acetate 6.83
    2-ethylhexyl acetate 4.38
    1,2,4-trichlorobenzene 1.34
    4-methylpyridine 5.79
    dibutyl ether 2.09
    2,6-dimethyl-4-heptanol 2.05
    DEF 24.53
    dimethyl isosorbide 26.32
    tetrachloroethylene 1.86
    eugenol 8.84
    triacetin 6.86
    span 80 8.51
    1,4-butanediol 6.7
    1,1-dichloroethane 0.67
    2-methyl-1-pentanol 4.11
    methyl formate 20.03
    2-methyl-1-butanol 5.72
    n-decane 0.12
    butyronitrile 6.96
    3,7-dimethyl-1-octanol 2.18
    1-chlorooctane 0.58
    1-chlorotetradecane 0.32
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 11.09
    tetrahydropyran 6.41
    tert-amyl methyl ether 3.14
    2,5,8-trioxanonane 23.54
    1-hexene 0.36
    2-isopropoxyethanol 12.94
    2,2,2-trifluoroethanol 8.95
    methyl butyrate 13.21

    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