1-Hydroxyxanthone

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  • Identifiers

    CAS number
    719-41-5

    Molecular formula
    C13H8O3

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.74%
    Burnt 39.12%
    Sweet 39.0%
    Medicinal 36.78%
    Odorless 32.01%
    Bitter 29.34%
    Spicy 28.58%
    Nutty 27.41%
    Balsamic 27.35%
    Smoky 26.17%

     

    Flavor
    Bitter 94.96%
    Very strong 20.78%
    Indole 20.31%
    Moth ball 19.68%
    Nitrile 19.55%
    Naphthelene 19.39%
    Lovage 19.25%
    Cedarleaf 19.21%
    Rotten 18.75%
    Ripe apricot 18.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.24 (weak base)

    Molecular weight
    212.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 183.79 ˚C est.

  • Synonyms

    • 1-Hydroxyxanthone
    • 1-hydroxyxanthen-9-one
    • 719-41-5
    • DTXSID30222157
    • RefChem:907643
    • DTXCID30144648
    • 1-Hydroxy-9H-xanthen-9-one
    • 9H-Xanthen-9-one, 1-hydroxy-
    • CHEMBL187368
    • hydroxyxanthone
    • Xanthen-9-one, 1-hydroxy-
    • 1-Hydroxy-xanthen-9-one
    • SCHEMBL873750
    • SCHEMBL30346453
    • SCHEMBL30600021
    • 1-Hydroxy-9H-xanthen-9-one #
    • BNLRKUSVMCIOGU-UHFFFAOYSA-N
    • BDBM50155415
    • XH161861
    • InChI=1/C13H8O3/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,14
    • 719-41-5

  • Applications

    1-Hydroxyxanthone (CAS 719-41-5) is commonly used as a building block and intermediate in the synthesis of xanthone derivatives, including dyes and pigments for coatings, plastics, and inks; it also serves as a precursor for pharmaceutical scaffolds and xanthone-based bioactive compounds in research and development; in metal-ligand chemistry it can function as a ligand or chelating agent for catalytic or analytical applications; and in analytical chemistry and materials science it can be used as a reference standard or starting point for developing polycyclic compounds with optical properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.13
    methanol 4.64
    isopropanol 5.37
    water 0.02
    ethyl acetate 11.41
    n-propanol 5.49
    acetone 21.74
    n-butanol 5.64
    acetonitrile 7.8
    DMF 93.78
    toluene 6.19
    isobutanol 5.02
    1,4-dioxane 30.4
    methyl acetate 16.24
    THF 63.06
    2-butanone 18.59
    n-pentanol 7.4
    sec-butanol 4.92
    n-hexane 0.31
    ethylene glycol 5.29
    NMP 74.65
    cyclohexane 0.71
    DMSO 100.96
    n-butyl acetate 17.17
    n-octanol 9.87
    chloroform 10.56
    n-propyl acetate 16.44
    acetic acid 13.69
    dichloromethane 16.06
    cyclohexanone 42.37
    propylene glycol 4.76
    isopropyl acetate 11.37
    DMAc 83.99
    2-ethoxyethanol 16.52
    isopentanol 7.62
    n-heptane 0.76
    ethyl formate 13.1
    1,2-dichloroethane 21.26
    n-hexanol 10.96
    2-methoxyethanol 30.54
    isobutyl acetate 12.8
    tetrachloromethane 1.4
    n-pentyl acetate 15.55
    transcutol 81.68
    n-heptanol 9.29
    ethylbenzene 6.47
    MIBK 13.96
    2-propoxyethanol 27.49
    tert-butanol 9.03
    MTBE 5.4
    2-butoxyethanol 20.97
    propionic acid 10.89
    o-xylene 5.99
    formic acid 5.25
    diethyl ether 5.67
    m-xylene 5.63
    p-xylene 8.73
    chlorobenzene 11.05
    dimethyl carbonate 15.62
    n-octane 0.59
    formamide 15.16
    cyclopentanone 51.71
    2-pentanone 15.04
    anisole 15.84
    cyclopentyl methyl ether 17.4
    gamma-butyrolactone 54.84
    1-methoxy-2-propanol 23.23
    pyridine 33.76
    3-pentanone 12.25
    furfural 57.74
    n-dodecane 1.18
    diethylene glycol 31.72
    diisopropyl ether 3.04
    tert-amyl alcohol 7.21
    acetylacetone 27.91
    n-hexadecane 1.38
    acetophenone 23.45
    methyl propionate 14.99
    isopentyl acetate 16.62
    trichloroethylene 35.42
    n-nonanol 10.36
    cyclohexanol 9.94
    benzyl alcohol 17.44
    2-ethylhexanol 9.77
    isooctanol 8.94
    dipropyl ether 8.41
    1,2-dichlorobenzene 12.47
    ethyl lactate 15.23
    propylene carbonate 32.3
    n-methylformamide 21.93
    2-pentanol 4.57
    n-pentane 0.25
    1-propoxy-2-propanol 20.91
    1-methoxy-2-propyl acetate 25.51
    2-(2-methoxypropoxy) propanol 29.35
    mesitylene 4.29
    ε-caprolactone 34.61
    p-cymene 6.84
    epichlorohydrin 53.87
    1,1,1-trichloroethane 8.06
    2-aminoethanol 6.78
    morpholine-4-carbaldehyde 62.08
    sulfolane 80.17
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 24.23
    n-hexyl acetate 20.2
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 35.82
    sec-butyl acetate 11.44
    tert-butyl acetate 13.47
    decalin 1.29
    glycerin 13.85
    diglyme 61.71
    acrylic acid 14.48
    isopropyl myristate 10.99
    n-butyric acid 13.52
    acetyl acetate 12.11
    di(2-ethylhexyl) phthalate 13.45
    ethyl propionate 14.51
    nitromethane 29.35
    1,2-diethoxyethane 22.21
    benzonitrile 20.91
    trioctyl phosphate 10.42
    1-bromopropane 6.38
    gamma-valerolactone 65.29
    n-decanol 8.69
    triethyl phosphate 12.48
    4-methyl-2-pentanol 5.11
    propionitrile 9.21
    vinylene carbonate 29.99
    1,1,2-trichlorotrifluoroethane 42.89
    DMS 24.36
    cumene 5.87
    2-octanol 7.52
    2-hexanone 18.73
    octyl acetate 13.46
    limonene 7.89
    1,2-dimethoxyethane 42.26
    ethyl orthosilicate 10.97
    tributyl phosphate 12.22
    diacetone alcohol 23.74
    N,N-dimethylaniline 14.49
    acrylonitrile 17.24
    aniline 12.49
    1,3-propanediol 11.16
    bromobenzene 8.85
    dibromomethane 9.29
    1,1,2,2-tetrachloroethane 29.14
    2-methyl-cyclohexyl acetate 16.14
    tetrabutyl urea 18.42
    diisobutyl methanol 7.18
    2-phenylethanol 20.38
    styrene 7.26
    dioctyl adipate 16.86
    dimethyl sulfate 30.36
    ethyl butyrate 14.48
    methyl lactate 18.4
    butyl lactate 18.5
    diethyl carbonate 11.91
    propanediol butyl ether 20.84
    triethyl orthoformate 13.23
    p-tert-butyltoluene 5.98
    methyl 4-tert-butylbenzoate 23.17
    morpholine 30.4
    tert-butylamine 4.44
    n-dodecanol 7.26
    dimethoxymethane 35.02
    ethylene carbonate 23.34
    cyrene 31.89
    2-ethoxyethyl acetate 23.13
    2-ethylhexyl acetate 14.15
    1,2,4-trichlorobenzene 18.29
    4-methylpyridine 27.41
    dibutyl ether 11.0
    2,6-dimethyl-4-heptanol 7.18
    DEF 27.73
    dimethyl isosorbide 45.18
    tetrachloroethylene 17.3
    eugenol 27.3
    triacetin 23.59
    span 80 22.9
    1,4-butanediol 5.2
    1,1-dichloroethane 8.39
    2-methyl-1-pentanol 9.1
    methyl formate 19.72
    2-methyl-1-butanol 6.16
    n-decane 1.51
    butyronitrile 9.14
    3,7-dimethyl-1-octanol 9.64
    1-chlorooctane 6.47
    1-chlorotetradecane 3.86
    n-nonane 1.13
    undecane 1.33
    tert-butylcyclohexane 1.14
    cyclooctane 0.36
    cyclopentanol 12.99
    tetrahydropyran 18.21
    tert-amyl methyl ether 6.36
    2,5,8-trioxanonane 48.1
    1-hexene 2.51
    2-isopropoxyethanol 14.13
    2,2,2-trifluoroethanol 8.07
    methyl butyrate 20.63

    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