Norathyriol

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  • Identifiers

    CAS number
    3542-72-1

    Molecular formula
    C13H8O6

    SMILES
    C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.1%
    Phenolic 53.64%
    Burnt 36.33%
    Medicinal 22.22%
    Smoky 21.94%
    Spicy 18.48%
    Savory 18.24%
    Bitter 16.79%
    Balsamic 15.52%
    Dry 15.14%

     

    Flavor
    Bitter 93.4%
    Odorless 26.95%
    Sweet-like 21.31%
    Very strong 20.38%
    Cedarleaf 20.35%
    Rotten 20.25%
    Nitrile 20.09%
    Indole 20.06%
    Mild 19.79%
    Eugenol 19.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.22 (weak base)

    Molecular weight
    260.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    776°C

    Flash point

    • 255.03 ˚C est.

  • Synonyms

    • Norathyriol
    • 3542-72-1
    • 1,3,6,7-Tetrahydroxyxanthen-9-one
    • DTXSID30188901
    • CHEBI:7622
    • RefChem:166546
    • DTXCID50111392
    • 1,3,6,7-TETRAHYDROXY-9H-XANTHEN-9-ONE
    • 1,3,6,7-Tetrahydroxyxanthone
    • Mangiferitin
    • CHEMBL187265
    • 1,3,6,7-Tetrahydroxyxantone
    • orb1297266
    • SCHEMBL2418732
    • SCHEMBL29678199
    • SCHEMBL29908959
    • GLXC-03259
    • DAA54272
    • HY-N1029
    • BDBM50155447
    • MFCD13689186
    • AKOS028108772
    • 1,3,6,7-Tetrahydroxy-xanthen-9-one
    • EBC-609519
    • DA-59797
    • MS-23663
    • CS-0016288
    • 9H-Xanthen-9-one, 1,3,6,7-tetrahydroxy-
    • G13837
    • Q27089365
    • NRA
    • 3542-72-1

  • Applications

    Norathyriol (CAS 3542-72-1) is a natural xanthone derivative studied for polyphenolic bioactivity and antioxidant potential; in industry it is considered a chemical precursor for the synthesis of related xanthones and dyes, commonly evaluated as an antioxidant and stabilizer additive in cosmetic formulations and polymer systems, and investigated as a lead compound in pharmaceutical research with antimicrobial and anti-inflammatory activities reported in preclinical studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.23
    methanol 35.57
    isopropanol 40.58
    water 0.34
    ethyl acetate 20.23
    n-propanol 36.8
    acetone 6.58
    n-butanol 35.0
    acetonitrile 6.02
    DMF 135.79
    toluene 0.35
    isobutanol 16.34
    1,4-dioxane 13.09
    methyl acetate 12.99
    THF 120.33
    2-butanone 23.45
    n-pentanol 15.04
    sec-butanol 33.98
    n-hexane 0.07
    ethylene glycol 59.54
    NMP 118.39
    cyclohexane 0.06
    DMSO 674.94
    n-butyl acetate 11.96
    n-octanol 3.23
    chloroform 0.01
    n-propyl acetate 15.46
    acetic acid 15.21
    dichloromethane 0.02
    cyclohexanone 20.26
    propylene glycol 58.88
    isopropyl acetate 14.39
    DMAc 177.71
    2-ethoxyethanol 117.92
    isopentanol 22.59
    n-heptane 0.2
    ethyl formate 12.15
    1,2-dichloroethane 0.14
    n-hexanol 9.62
    2-methoxyethanol 294.47
    isobutyl acetate 3.29
    tetrachloromethane 0.02
    n-pentyl acetate 5.99
    transcutol 87.28
    n-heptanol 5.34
    ethylbenzene 0.44
    MIBK 12.78
    2-propoxyethanol 104.44
    tert-butanol 33.65
    MTBE 4.79
    2-butoxyethanol 33.97
    propionic acid 23.15
    o-xylene 0.53
    formic acid 31.46
    diethyl ether 7.09
    m-xylene 0.49
    p-xylene 0.4
    chlorobenzene 0.08
    dimethyl carbonate 16.13
    n-octane 0.08
    formamide 83.35
    cyclopentanone 54.58
    2-pentanone 27.95
    anisole 3.27
    cyclopentyl methyl ether 19.78
    gamma-butyrolactone 74.34
    1-methoxy-2-propanol 254.95
    pyridine 5.55
    3-pentanone 11.85
    furfural 27.97
    n-dodecane 0.11
    diethylene glycol 134.51
    diisopropyl ether 1.66
    tert-amyl alcohol 25.5
    acetylacetone 24.08
    n-hexadecane 0.12
    acetophenone 6.32
    methyl propionate 34.05
    isopentyl acetate 8.34
    trichloroethylene 0.13
    n-nonanol 3.82
    cyclohexanol 15.26
    benzyl alcohol 7.13
    2-ethylhexanol 4.81
    isooctanol 3.94
    dipropyl ether 9.26
    1,2-dichlorobenzene 0.12
    ethyl lactate 31.84
    propylene carbonate 17.64
    n-methylformamide 81.15
    2-pentanol 22.09
    n-pentane 0.09
    1-propoxy-2-propanol 71.18
    1-methoxy-2-propyl acetate 34.43
    2-(2-methoxypropoxy) propanol 32.52
    mesitylene 0.37
    ε-caprolactone 29.91
    p-cymene 0.86
    epichlorohydrin 27.93
    1,1,1-trichloroethane 0.05
    2-aminoethanol 72.85
    morpholine-4-carbaldehyde 96.05
    sulfolane 145.15
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 33.39
    n-hexyl acetate 5.94
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 44.91
    sec-butyl acetate 7.74
    tert-butyl acetate 13.41
    decalin 0.08
    glycerin 146.55
    diglyme 59.84
    acrylic acid 19.28
    isopropyl myristate 3.47
    n-butyric acid 32.19
    acetyl acetate 4.66
    di(2-ethylhexyl) phthalate 3.84
    ethyl propionate 18.32
    nitromethane 41.85
    1,2-diethoxyethane 13.88
    benzonitrile 2.5
    trioctyl phosphate 4.1
    1-bromopropane 0.25
    gamma-valerolactone 90.84
    n-decanol 3.27
    triethyl phosphate 6.72
    4-methyl-2-pentanol 8.54
    propionitrile 9.82
    vinylene carbonate 8.96
    1,1,2-trichlorotrifluoroethane 32.36
    DMS 7.89
    cumene 0.4
    2-octanol 3.26
    2-hexanone 13.1
    octyl acetate 4.78
    limonene 1.14
    1,2-dimethoxyethane 83.64
    ethyl orthosilicate 5.62
    tributyl phosphate 4.68
    diacetone alcohol 66.48
    N,N-dimethylaniline 3.41
    acrylonitrile 12.91
    aniline 2.81
    1,3-propanediol 130.59
    bromobenzene 0.04
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.29
    2-methyl-cyclohexyl acetate 6.01
    tetrabutyl urea 8.48
    diisobutyl methanol 4.05
    2-phenylethanol 6.9
    styrene 0.3
    dioctyl adipate 6.05
    dimethyl sulfate 35.63
    ethyl butyrate 12.29
    methyl lactate 76.1
    butyl lactate 15.92
    diethyl carbonate 6.69
    propanediol butyl ether 30.41
    triethyl orthoformate 9.93
    p-tert-butyltoluene 0.83
    methyl 4-tert-butylbenzoate 10.07
    morpholine 58.58
    tert-butylamine 5.65
    n-dodecanol 2.51
    dimethoxymethane 91.6
    ethylene carbonate 9.26
    cyrene 38.52
    2-ethoxyethyl acetate 10.64
    2-ethylhexyl acetate 5.42
    1,2,4-trichlorobenzene 0.25
    4-methylpyridine 4.83
    dibutyl ether 3.87
    2,6-dimethyl-4-heptanol 4.05
    DEF 51.59
    dimethyl isosorbide 46.61
    tetrachloroethylene 0.17
    eugenol 13.19
    triacetin 10.08
    span 80 17.87
    1,4-butanediol 35.19
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 9.8
    methyl formate 29.66
    2-methyl-1-butanol 20.43
    n-decane 0.16
    butyronitrile 9.87
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 0.47
    1-chlorotetradecane 0.29
    n-nonane 0.12
    undecane 0.13
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 28.63
    tetrahydropyran 10.67
    tert-amyl methyl ether 8.08
    2,5,8-trioxanonane 48.69
    1-hexene 0.43
    2-isopropoxyethanol 50.13
    2,2,2-trifluoroethanol 10.59
    methyl butyrate 24.23

    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