Alloathyriol

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  • Identifiers

    CAS number
    67370-97-2

    Molecular formula
    C14H10O6

    SMILES
    COC1=C(C=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.51%
    Odorless 50.41%
    Burnt 36.72%
    Smoky 28.13%
    Spicy 26.75%
    Medicinal 25.19%
    Vanilla 24.98%
    Balsamic 22.57%
    Savory 20.45%
    Woody 19.96%

     

    Flavor
    Bitter 90.86%
    Odorless 24.93%
    Bland 21.44%
    Sweet-like 21.26%
    Eugenol 20.69%
    Parsley 20.68%
    Cedarleaf 20.64%
    Very strong 19.95%
    Lovage 19.94%
    Indole 19.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.46 (weak base)

    Molecular weight
    274.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    658°C

    Melting point expt.

    • 304 °C

    Flash point

    • 246.55 ˚C est.

  • Synonyms

    • alloathyriol
    • 1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one
    • 1,3,6-trihydroxy-7-methoxyxanthone
    • 67370-97-2
    • 1,3,6-TRIHYDROXY-7-METHOXYXANTHEN-9-ONE
    • RefChem:110794
    • CHEMBL482243
    • SCHEMBL29379343
    • CHEBI:174595
    • DTXSID301318041
    • 67370-97-2

  • Applications

    Alloathyriol, CAS 67370-97-2, is a polyphenolic compound commonly explored as an antioxidant and stabilizer in cosmetic and personal care formulations, helping to limit oxidation and color changes. It is also evaluated as a stabilizer/antioxidant in polymer and coating systems to improve aging resistance under light and heat. In industrial manufacturing it serves as a chemical intermediate for the synthesis of more complex xanthone derivatives used in pharmaceutical and agrochemical research. Its phenolic functionality also supports consideration as a metal-chelating additive in specialty cleaning and formulation contexts, within regulatory and formulation limits. It may also be encountered as a precursor in the preparation of other specialty chemicals in research or pilot-scale production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.81
    methanol 2.48
    isopropanol 3.5
    water 0.06
    ethyl acetate 5.24
    n-propanol 4.1
    acetone 2.49
    n-butanol 3.73
    acetonitrile 3.68
    DMF 80.45
    toluene 0.14
    isobutanol 2.91
    1,4-dioxane 6.11
    methyl acetate 7.05
    THF 38.54
    2-butanone 6.66
    n-pentanol 2.69
    sec-butanol 3.99
    n-hexane 0.02
    ethylene glycol 21.96
    NMP 113.9
    cyclohexane 0.02
    DMSO 477.59
    n-butyl acetate 5.86
    n-octanol 1.49
    chloroform 0.12
    n-propyl acetate 7.05
    acetic acid 13.7
    dichloromethane 0.19
    cyclohexanone 9.29
    propylene glycol 21.28
    isopropyl acetate 4.06
    DMAc 113.39
    2-ethoxyethanol 39.32
    isopentanol 3.79
    n-heptane 0.06
    ethyl formate 4.73
    1,2-dichloroethane 0.5
    n-hexanol 1.96
    2-methoxyethanol 89.05
    isobutyl acetate 3.36
    tetrachloromethane 0.04
    n-pentyl acetate 3.81
    transcutol 122.41
    n-heptanol 1.93
    ethylbenzene 0.21
    MIBK 4.24
    2-propoxyethanol 43.67
    tert-butanol 5.72
    MTBE 1.39
    2-butoxyethanol 15.53
    propionic acid 12.61
    o-xylene 0.27
    formic acid 19.99
    diethyl ether 1.12
    m-xylene 0.23
    p-xylene 0.29
    chlorobenzene 0.18
    dimethyl carbonate 13.83
    n-octane 0.03
    formamide 43.45
    cyclopentanone 24.7
    2-pentanone 5.21
    anisole 2.01
    cyclopentyl methyl ether 5.57
    gamma-butyrolactone 56.87
    1-methoxy-2-propanol 73.61
    pyridine 3.41
    3-pentanone 3.94
    furfural 29.5
    n-dodecane 0.06
    diethylene glycol 79.21
    diisopropyl ether 0.43
    tert-amyl alcohol 4.68
    acetylacetone 12.34
    n-hexadecane 0.07
    acetophenone 4.85
    methyl propionate 12.21
    isopentyl acetate 5.25
    trichloroethylene 0.83
    n-nonanol 1.77
    cyclohexanol 3.57
    benzyl alcohol 3.92
    2-ethylhexanol 1.89
    isooctanol 1.84
    dipropyl ether 2.92
    1,2-dichlorobenzene 0.36
    ethyl lactate 18.96
    propylene carbonate 16.77
    n-methylformamide 32.16
    2-pentanol 2.66
    n-pentane 0.02
    1-propoxy-2-propanol 31.41
    1-methoxy-2-propyl acetate 22.22
    2-(2-methoxypropoxy) propanol 24.72
    mesitylene 0.2
    ε-caprolactone 16.35
    p-cymene 0.57
    epichlorohydrin 28.17
    1,1,1-trichloroethane 0.21
    2-aminoethanol 19.22
    morpholine-4-carbaldehyde 88.42
    sulfolane 138.37
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 9.0
    n-hexyl acetate 4.25
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 31.08
    sec-butyl acetate 3.82
    tert-butyl acetate 6.03
    decalin 0.05
    glycerin 91.34
    diglyme 54.33
    acrylic acid 16.77
    isopropyl myristate 2.28
    n-butyric acid 10.0
    acetyl acetate 3.54
    di(2-ethylhexyl) phthalate 3.88
    ethyl propionate 7.28
    nitromethane 44.02
    1,2-diethoxyethane 10.41
    benzonitrile 2.68
    trioctyl phosphate 3.16
    1-bromopropane 0.25
    gamma-valerolactone 64.06
    n-decanol 1.47
    triethyl phosphate 6.51
    4-methyl-2-pentanol 1.88
    propionitrile 3.82
    vinylene carbonate 11.43
    1,1,2-trichlorotrifluoroethane 44.66
    DMS 10.76
    cumene 0.25
    2-octanol 1.19
    2-hexanone 5.12
    octyl acetate 3.11
    limonene 0.77
    1,2-dimethoxyethane 36.71
    ethyl orthosilicate 5.0
    tributyl phosphate 4.14
    diacetone alcohol 27.52
    N,N-dimethylaniline 2.35
    acrylonitrile 8.46
    aniline 1.43
    1,3-propanediol 26.66
    bromobenzene 0.1
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 1.2
    2-methyl-cyclohexyl acetate 5.66
    tetrabutyl urea 6.86
    diisobutyl methanol 1.78
    2-phenylethanol 4.01
    styrene 0.18
    dioctyl adipate 5.53
    dimethyl sulfate 46.77
    ethyl butyrate 6.5
    methyl lactate 43.94
    butyl lactate 10.36
    diethyl carbonate 5.66
    propanediol butyl ether 19.71
    triethyl orthoformate 7.12
    p-tert-butyltoluene 0.55
    methyl 4-tert-butylbenzoate 9.77
    morpholine 19.69
    tert-butylamine 1.22
    n-dodecanol 1.17
    dimethoxymethane 35.89
    ethylene carbonate 9.32
    cyrene 34.85
    2-ethoxyethyl acetate 10.2
    2-ethylhexyl acetate 3.88
    1,2,4-trichlorobenzene 0.76
    4-methylpyridine 2.71
    dibutyl ether 2.0
    2,6-dimethyl-4-heptanol 1.78
    DEF 16.51
    dimethyl isosorbide 45.0
    tetrachloroethylene 0.49
    eugenol 12.41
    triacetin 12.36
    span 80 13.08
    1,4-butanediol 9.73
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 2.66
    methyl formate 18.35
    2-methyl-1-butanol 3.5
    n-decane 0.08
    butyronitrile 2.74
    3,7-dimethyl-1-octanol 1.88
    1-chlorooctane 0.34
    1-chlorotetradecane 0.23
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 6.99
    tetrahydropyran 2.55
    tert-amyl methyl ether 2.16
    2,5,8-trioxanonane 43.14
    1-hexene 0.14
    2-isopropoxyethanol 20.43
    2,2,2-trifluoroethanol 12.15
    methyl butyrate 9.77

    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