Xanthydrol

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  • Identifiers

    CAS number
    90-46-0

    Molecular formula
    C13H10O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 68.38%
    Phenolic 62.73%
    Spicy 41.98%
    Medicinal 38.16%
    Aromatic 33.17%
    Balsamic 30.14%
    Vanilla 30.06%
    Smoky 29.21%
    Animal 28.43%
    Herbal 26.87%

     

    Flavor
    Bitter 77.41%
    Sweet 44.99%
    Herbal 29.92%
    Tonka 28.5%
    Animal 24.61%
    Balsam 24.55%
    Coconut 23.66%
    Naphthalic 22.37%
    Powdery 22.19%
    Phenolic 22.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.0 (weak base)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 172.89 ˚C est.

  • Synonyms

    • 9-Hydroxyxanthene
    • Xanthydrol
    • 9H-Xanthen-9-ol
    • 90-46-0
    • Xanthen-9-ol
    • 9-Xanthydrol
    • 7131M69IKF
    • NSC-4038
    • DTXSID8059009
    • RefChem:902268
    • DTXCID9048691
    • 201-996-1
    • Xanthanol
    • 9-Xanthenol
    • Xanthene, hydroxy-
    • MFCD00005057
    • CHEMBL5204890
    • CCRIS 1640
    • NSC 4038
    • EINECS 201-996-1
    • BRN 0010395
    • Xanthrol
    • AI3-01536
    • Xanthydrol, 98%
    • Oprea1_119099
    • 5-17-04-00502 (Beilstein Handbook Reference)
    • SCHEMBL521774
    • SCHEMBL521775
    • UNII-7131M69IKF
    • orb1302738
    • SCHEMBL2793464
    • SCHEMBL3236129
    • SCHEMBL29419966
    • NSC4038
    • WLN: T C666 BO IHJ IQ
    • BDBM50599588
    • MSK161066
    • SBB069492
    • STL283997
    • AKOS000120607
    • CS-W015654
    • EBC-610713
    • FH11917
    • AS-35115
    • NS00008884
    • ST50307231
    • X0055
    • EN300-19235
    • WLN: T C666 BO IVJ EG D1- AT6N DOTJ
    • A843556
    • F468359
    • Q4021716
    • Xanthydrol, for the detection of urea, >=99.0% (HPLC)
    • InChI=1/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14
    • 90-46-0

  • Applications

    Xanthydrol (CAS 90-46-0) is primarily used as an intermediate in the synthesis of xanthene-based dyes and pigments, acting as a precursor for colorants in coatings, inks, and plastics. It is employed as a colorimetric reagent for carbonyl-containing compounds, enabling routine analytical monitoring in industrial and chemical-analysis contexts. The compound also serves as a building block for fluorescent dyes and probes used in research and analytical applications. In materials science, xanthydrol can function as a color-forming precursor for coloring and pigmentation of polymers, contributing to coloration and optical properties in a range of products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.05
    methanol 9.75
    isopropanol 11.76
    water 0.17
    ethyl acetate 37.74
    n-propanol 13.87
    acetone 55.89
    n-butanol 13.79
    acetonitrile 30.37
    DMF 172.93
    toluene 18.9
    isobutanol 12.27
    1,4-dioxane 97.84
    methyl acetate 48.49
    THF 150.67
    2-butanone 50.88
    n-pentanol 17.26
    sec-butanol 10.23
    n-hexane 3.32
    ethylene glycol 7.76
    NMP 125.78
    cyclohexane 6.35
    DMSO 127.58
    n-butyl acetate 48.7
    n-octanol 24.9
    chloroform 156.83
    n-propyl acetate 48.41
    acetic acid 36.39
    dichloromethane 138.46
    cyclohexanone 107.46
    propylene glycol 6.69
    isopropyl acetate 29.14
    DMAc 142.83
    2-ethoxyethanol 33.93
    isopentanol 16.66
    n-heptane 7.18
    ethyl formate 57.06
    1,2-dichloroethane 110.92
    n-hexanol 28.4
    2-methoxyethanol 44.9
    isobutyl acetate 37.44
    tetrachloromethane 19.41
    n-pentyl acetate 43.96
    transcutol 109.81
    n-heptanol 23.81
    ethylbenzene 23.56
    MIBK 32.4
    2-propoxyethanol 48.43
    tert-butanol 18.69
    MTBE 16.22
    2-butoxyethanol 43.34
    propionic acid 30.32
    o-xylene 19.58
    formic acid 9.86
    diethyl ether 22.15
    m-xylene 17.94
    p-xylene 30.77
    chlorobenzene 48.54
    dimethyl carbonate 38.36
    n-octane 5.86
    formamide 30.15
    cyclopentanone 137.38
    2-pentanone 40.85
    anisole 44.79
    cyclopentyl methyl ether 44.71
    gamma-butyrolactone 159.44
    1-methoxy-2-propanol 32.46
    pyridine 96.75
    3-pentanone 38.38
    furfural 139.32
    n-dodecane 5.8
    diethylene glycol 41.44
    diisopropyl ether 11.72
    tert-amyl alcohol 14.29
    acetylacetone 62.29
    n-hexadecane 6.65
    acetophenone 57.37
    methyl propionate 39.45
    isopentyl acetate 43.55
    trichloroethylene 201.57
    n-nonanol 25.24
    cyclohexanol 21.47
    benzyl alcohol 37.52
    2-ethylhexanol 25.71
    isooctanol 22.03
    dipropyl ether 30.86
    1,2-dichlorobenzene 55.64
    ethyl lactate 30.74
    propylene carbonate 99.35
    n-methylformamide 58.35
    2-pentanol 10.58
    n-pentane 2.59
    1-propoxy-2-propanol 36.73
    1-methoxy-2-propyl acetate 47.14
    2-(2-methoxypropoxy) propanol 45.43
    mesitylene 15.65
    ε-caprolactone 88.18
    p-cymene 21.54
    epichlorohydrin 145.75
    1,1,1-trichloroethane 61.3
    2-aminoethanol 11.8
    morpholine-4-carbaldehyde 118.08
    sulfolane 166.14
    2,2,4-trimethylpentane 2.59
    2-methyltetrahydrofuran 63.78
    n-hexyl acetate 54.55
    isooctane 2.62
    2-(2-butoxyethoxy)ethanol 55.81
    sec-butyl acetate 31.32
    tert-butyl acetate 31.55
    decalin 6.61
    glycerin 18.08
    diglyme 116.19
    acrylic acid 34.13
    isopropyl myristate 27.9
    n-butyric acid 42.69
    acetyl acetate 36.18
    di(2-ethylhexyl) phthalate 26.2
    ethyl propionate 40.28
    nitromethane 84.02
    1,2-diethoxyethane 50.81
    benzonitrile 59.76
    trioctyl phosphate 21.9
    1-bromopropane 34.47
    gamma-valerolactone 136.23
    n-decanol 21.04
    triethyl phosphate 30.48
    4-methyl-2-pentanol 12.36
    propionitrile 34.38
    vinylene carbonate 99.82
    1,1,2-trichlorotrifluoroethane 83.97
    DMS 52.75
    cumene 19.89
    2-octanol 18.93
    2-hexanone 47.8
    octyl acetate 32.69
    limonene 24.2
    1,2-dimethoxyethane 95.43
    ethyl orthosilicate 28.15
    tributyl phosphate 25.73
    diacetone alcohol 38.79
    N,N-dimethylaniline 36.67
    acrylonitrile 53.15
    aniline 26.13
    1,3-propanediol 19.61
    bromobenzene 47.51
    dibromomethane 82.7
    1,1,2,2-tetrachloroethane 142.07
    2-methyl-cyclohexyl acetate 38.91
    tetrabutyl urea 36.74
    diisobutyl methanol 18.84
    2-phenylethanol 42.09
    styrene 27.09
    dioctyl adipate 40.0
    dimethyl sulfate 61.76
    ethyl butyrate 43.66
    methyl lactate 29.97
    butyl lactate 35.45
    diethyl carbonate 37.11
    propanediol butyl ether 31.27
    triethyl orthoformate 36.27
    p-tert-butyltoluene 18.89
    methyl 4-tert-butylbenzoate 50.81
    morpholine 73.06
    tert-butylamine 12.64
    n-dodecanol 18.0
    dimethoxymethane 71.33
    ethylene carbonate 84.63
    cyrene 56.35
    2-ethoxyethyl acetate 51.71
    2-ethylhexyl acetate 37.37
    1,2,4-trichlorobenzene 59.58
    4-methylpyridine 63.63
    dibutyl ether 34.5
    2,6-dimethyl-4-heptanol 18.84
    DEF 62.19
    dimethyl isosorbide 79.93
    tetrachloroethylene 97.8
    eugenol 49.77
    triacetin 54.06
    span 80 38.54
    1,4-butanediol 11.18
    1,1-dichloroethane 60.9
    2-methyl-1-pentanol 19.71
    methyl formate 58.78
    2-methyl-1-butanol 13.43
    n-decane 8.49
    butyronitrile 35.68
    3,7-dimethyl-1-octanol 22.69
    1-chlorooctane 25.92
    1-chlorotetradecane 13.52
    n-nonane 7.75
    undecane 6.83
    tert-butylcyclohexane 5.47
    cyclooctane 3.74
    cyclopentanol 28.07
    tetrahydropyran 60.28
    tert-amyl methyl ether 15.9
    2,5,8-trioxanonane 82.68
    1-hexene 12.66
    2-isopropoxyethanol 29.8
    2,2,2-trifluoroethanol 24.06
    methyl butyrate 58.07

    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