Euxanthone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    529-61-3

    Molecular formula
    C13H8O4

    SMILES
    C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 66.99%
    Odorless 42.79%
    Burnt 39.92%
    Medicinal 33.82%
    Smoky 26.17%
    Bitter 26.08%
    Spicy 24.7%
    Nutty 24.0%
    Sweet 22.96%
    Vanilla 22.56%

     

    Flavor
    Bitter 96.35%
    Very strong 20.37%
    Indole 19.89%
    Nitrile 19.62%
    Cedarleaf 19.42%
    Odorless 19.23%
    Sweet-like 19.05%
    Rotten 19.04%
    Lovage 19.02%
    Moth ball 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.63 (weak base)

    Molecular weight
    228.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    501°C

    Melting point expt.

    • 240 °C

    Flash point

    • 212.87 ˚C est.

  • Synonyms

    • Euxanthone
    • 529-61-3
    • 1,7-dihydroxy-9H-xanthen-9-one
    • 1,7-Dihydroxyxanthone
    • 1,7-dihydroxyxanthen-9-one
    • CHEBI:4946
    • DTXSID00200947
    • 9H-Xanthen-9-one, 1,7-dihydroxy-
    • QN875WE9R7
    • RefChem:139660
    • DTXCID30123438
    • eyxanthone
    • purrenone
    • CHEMBL389166
    • Xanthen-9-one, 1,7-dihydroxy- ; 1,7-Dihydroxy-9H-xanthen-9-one; 1,7-Dihydroxyxanthone; DX 1
    • Euxanthon
    • 1,7-dihydroxy-xanthen-9-one
    • orb1690888
    • SCHEMBL1230282
    • SCHEMBL30711777
    • SCHEMBL30786764
    • 1,7-Bis(oxidanyl)xanthen-9-one
    • AAA52961
    • HY-N3883
    • BDBM50268290
    • MFCD00914848
    • AKOS000278034
    • FS-9979
    • 1,7-Dihydroxy-9H-xanthen-9-one, 9CI
    • DA-73264
    • 9H-Xanthen-9-one, 1,7-dihydroxyxanthone
    • CS-0024400
    • 1,7-Dihydroxyxanthone (Euxanthone, Purrenone)
    • AA-504/21163144
    • NCGC00385409-01!1,7-dihydroxyxanthen-9-one
    • Q27089350
    • 529-61-3

  • Applications

    Euxanthone (CAS 529-61-3) is primarily used as an organic synthesis intermediate and a xanthone-based scaffold for medicinal chemistry in early drug-discovery work; it is also employed as a precursor or building block for xanthone-containing compounds used in materials and polymer development; given its conjugated xanthone structure, it is investigated as a chromophore or dye precursor for coatings and inks; it can serve as a research reagent or analytical standard in chemical analysis and materials science; and its use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.85
    methanol 5.45
    isopropanol 5.87
    water 0.02
    ethyl acetate 7.6
    n-propanol 5.65
    acetone 11.64
    n-butanol 6.39
    acetonitrile 4.45
    DMF 50.34
    toluene 1.43
    isobutanol 4.34
    1,4-dioxane 18.69
    methyl acetate 11.23
    THF 66.46
    2-butanone 18.63
    n-pentanol 4.32
    sec-butanol 6.38
    n-hexane 0.02
    ethylene glycol 5.89
    NMP 37.22
    cyclohexane 0.05
    DMSO 141.17
    n-butyl acetate 10.72
    n-octanol 4.45
    chloroform 0.16
    n-propyl acetate 8.91
    acetic acid 7.06
    dichloromethane 0.38
    cyclohexanone 20.33
    propylene glycol 4.38
    isopropyl acetate 7.95
    DMAc 83.65
    2-ethoxyethanol 17.46
    isopentanol 8.23
    n-heptane 0.08
    ethyl formate 5.51
    1,2-dichloroethane 1.69
    n-hexanol 6.25
    2-methoxyethanol 44.61
    isobutyl acetate 4.5
    tetrachloromethane 0.13
    n-pentyl acetate 7.6
    transcutol 66.49
    n-heptanol 4.7
    ethylbenzene 1.8
    MIBK 9.68
    2-propoxyethanol 27.95
    tert-butanol 10.16
    MTBE 4.92
    2-butoxyethanol 16.19
    propionic acid 6.56
    o-xylene 1.93
    formic acid 5.31
    diethyl ether 3.3
    m-xylene 1.34
    p-xylene 2.02
    chlorobenzene 1.02
    dimethyl carbonate 8.73
    n-octane 0.05
    formamide 18.36
    cyclopentanone 30.39
    2-pentanone 12.42
    anisole 8.4
    cyclopentyl methyl ether 11.66
    gamma-butyrolactone 27.93
    1-methoxy-2-propanol 32.01
    pyridine 12.89
    3-pentanone 7.98
    furfural 22.54
    n-dodecane 0.15
    diethylene glycol 30.69
    diisopropyl ether 1.32
    tert-amyl alcohol 10.43
    acetylacetone 15.78
    n-hexadecane 0.18
    acetophenone 11.33
    methyl propionate 10.54
    isopentyl acetate 10.93
    trichloroethylene 2.77
    n-nonanol 4.93
    cyclohexanol 7.39
    benzyl alcohol 8.46
    2-ethylhexanol 5.4
    isooctanol 4.22
    dipropyl ether 4.19
    1,2-dichlorobenzene 1.64
    ethyl lactate 9.68
    propylene carbonate 11.52
    n-methylformamide 16.07
    2-pentanol 4.95
    n-pentane 0.02
    1-propoxy-2-propanol 19.86
    1-methoxy-2-propyl acetate 19.23
    2-(2-methoxypropoxy) propanol 23.15
    mesitylene 1.0
    ε-caprolactone 18.79
    p-cymene 2.46
    epichlorohydrin 30.83
    1,1,1-trichloroethane 0.74
    2-aminoethanol 7.6
    morpholine-4-carbaldehyde 39.29
    sulfolane 46.37
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 21.36
    n-hexyl acetate 9.96
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 27.57
    sec-butyl acetate 6.98
    tert-butyl acetate 10.64
    decalin 0.17
    glycerin 14.83
    diglyme 47.65
    acrylic acid 6.77
    isopropyl myristate 4.97
    n-butyric acid 8.44
    acetyl acetate 4.94
    di(2-ethylhexyl) phthalate 5.98
    ethyl propionate 9.63
    nitromethane 17.91
    1,2-diethoxyethane 15.22
    benzonitrile 7.15
    trioctyl phosphate 4.83
    1-bromopropane 0.72
    gamma-valerolactone 38.93
    n-decanol 4.01
    triethyl phosphate 7.83
    4-methyl-2-pentanol 4.26
    propionitrile 5.73
    vinylene carbonate 9.04
    1,1,2-trichlorotrifluoroethane 21.01
    DMS 12.41
    cumene 1.59
    2-octanol 3.3
    2-hexanone 11.35
    octyl acetate 6.23
    limonene 2.68
    1,2-dimethoxyethane 38.26
    ethyl orthosilicate 6.79
    tributyl phosphate 5.99
    diacetone alcohol 24.47
    N,N-dimethylaniline 6.77
    acrylonitrile 9.37
    aniline 6.13
    1,3-propanediol 16.05
    bromobenzene 0.67
    dibromomethane 0.23
    1,1,2,2-tetrachloroethane 3.07
    2-methyl-cyclohexyl acetate 8.45
    tetrabutyl urea 9.11
    diisobutyl methanol 3.81
    2-phenylethanol 10.57
    styrene 1.54
    dioctyl adipate 7.6
    dimethyl sulfate 19.96
    ethyl butyrate 8.48
    methyl lactate 14.07
    butyl lactate 9.95
    diethyl carbonate 6.97
    propanediol butyl ether 14.56
    triethyl orthoformate 8.3
    p-tert-butyltoluene 2.12
    methyl 4-tert-butylbenzoate 12.54
    morpholine 29.37
    tert-butylamine 2.99
    n-dodecanol 3.06
    dimethoxymethane 28.86
    ethylene carbonate 7.91
    cyrene 17.15
    2-ethoxyethyl acetate 13.31
    2-ethylhexyl acetate 8.41
    1,2,4-trichlorobenzene 2.89
    4-methylpyridine 12.46
    dibutyl ether 5.42
    2,6-dimethyl-4-heptanol 3.81
    DEF 22.6
    dimethyl isosorbide 31.5
    tetrachloroethylene 2.0
    eugenol 14.78
    triacetin 12.06
    span 80 12.93
    1,4-butanediol 4.28
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 6.07
    methyl formate 9.6
    2-methyl-1-butanol 6.75
    n-decane 0.2
    butyronitrile 5.78
    3,7-dimethyl-1-octanol 5.05
    1-chlorooctane 1.37
    1-chlorotetradecane 0.75
    n-nonane 0.12
    undecane 0.18
    tert-butylcyclohexane 0.16
    cyclooctane 0.03
    cyclopentanol 7.48
    tetrahydropyran 11.26
    tert-amyl methyl ether 6.26
    2,5,8-trioxanonane 35.93
    1-hexene 0.3
    2-isopropoxyethanol 12.67
    2,2,2-trifluoroethanol 4.84
    methyl butyrate 12.31

    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