5,7-dihydroxy-2,3,3-trimethyl-2H,3H,11H-furo[2,3-a]xanthen-11-one

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  • Identifiers

    CAS number
    175617-27-3

    Molecular formula
    C18H16O5

    SMILES
    CC1C(C2=CC(=C3C(=C2O1)C(=O)C4=C(O3)C(=CC=C4)O)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 53.34%
    Fruity 34.69%
    Burnt 31.96%
    Spicy 30.66%
    Sweet 28.1%
    Dry 27.53%
    Odorless 27.33%
    Smoky 26.22%
    Woody 25.86%
    Medicinal 24.3%

     

    Flavor
    Bitter 94.21%
    Cedarleaf 20.17%
    Parsley 19.6%
    Eugenol 19.02%
    Lovage 18.93%
    Very strong 18.84%
    Red fruit 18.83%
    Ripe apricot 18.8%
    Sweet-like 18.75%
    Indole 18.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.92 (neutral)

    Molecular weight
    312.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    694°C

    Flash point

    • 235.29 ˚C est.

  • Synonyms

    • Dulciol E
    • (+/-)-Dulciol E
    • CHEBI:173262
    • DTXSID601151426
    • 5,7-dihydroxy-2,3,3-trimethyl-2H,3H,11H-furo[2,3-a]xanthen-11-one
    • 175617-27-3
    • 5,7-dihydroxy-2,3,3-trimethyl-2H-uro[2,3-a]xanthen-11-one
    • 2,3-Dihydro-5,7-dihydroxy-2,3,3-trimethyl-11H-furo[2,3-a]xanthen-11-one
    • 5,7-Dihydroxy-2,3,3-trimethyl-2,3-dihydro-11H-furo[2,3-a]xanthen-11-one
    • 175617-27-3

  • Applications

    5,7-dihydroxy-2,3,3-trimethyl-2H,3H,11H-furo[2,3-a]xanthen-11-one (CAS 175617-27-3) is commonly evaluated as an intermediate in the synthesis of xanthene-based dyes and specialty pigments for inks, coatings, and plastics; it may function as a fluorophore or colorant component in analytical sensing, fluorescence-based imaging, and optoelectronic applications; in polymer formulations it can be used as a dye additive or pigment precursor to impart coloration and fluorescence; it is also studied in research and development as part of dye-chemistry efforts and in the creation of fluorescent material libraries, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.44
    methanol 5.1
    isopropanol 3.96
    water 0.03
    ethyl acetate 17.66
    n-propanol 4.31
    acetone 20.37
    n-butanol 4.29
    acetonitrile 8.11
    DMF 85.52
    toluene 4.88
    isobutanol 3.51
    1,4-dioxane 30.81
    methyl acetate 22.39
    THF 89.76
    2-butanone 22.76
    n-pentanol 2.77
    sec-butanol 3.18
    n-hexane 0.07
    ethylene glycol 5.27
    NMP 65.99
    cyclohexane 0.22
    DMSO 48.63
    n-butyl acetate 17.5
    n-octanol 3.43
    chloroform 16.02
    n-propyl acetate 11.59
    acetic acid 19.38
    dichloromethane 19.23
    cyclohexanone 36.66
    propylene glycol 3.1
    isopropyl acetate 17.1
    DMAc 114.93
    2-ethoxyethanol 16.31
    isopentanol 6.17
    n-heptane 0.16
    ethyl formate 10.02
    1,2-dichloroethane 17.12
    n-hexanol 5.36
    2-methoxyethanol 38.1
    isobutyl acetate 11.02
    tetrachloromethane 1.6
    n-pentyl acetate 13.93
    transcutol 47.36
    n-heptanol 5.1
    ethylbenzene 2.71
    MIBK 14.34
    2-propoxyethanol 36.45
    tert-butanol 8.1
    MTBE 6.6
    2-butoxyethanol 21.23
    propionic acid 10.19
    o-xylene 3.72
    formic acid 10.53
    diethyl ether 4.93
    m-xylene 3.82
    p-xylene 4.87
    chlorobenzene 7.46
    dimethyl carbonate 29.89
    n-octane 0.15
    formamide 26.47
    cyclopentanone 66.59
    2-pentanone 14.97
    anisole 11.56
    cyclopentyl methyl ether 17.47
    gamma-butyrolactone 71.78
    1-methoxy-2-propanol 27.16
    pyridine 34.6
    3-pentanone 12.18
    furfural 56.98
    n-dodecane 0.21
    diethylene glycol 38.83
    diisopropyl ether 2.34
    tert-amyl alcohol 5.76
    acetylacetone 37.12
    n-hexadecane 0.26
    acetophenone 18.91
    methyl propionate 21.9
    isopentyl acetate 22.7
    trichloroethylene 44.72
    n-nonanol 4.06
    cyclohexanol 6.15
    benzyl alcohol 11.82
    2-ethylhexanol 4.71
    isooctanol 5.21
    dipropyl ether 4.91
    1,2-dichlorobenzene 9.62
    ethyl lactate 10.18
    propylene carbonate 29.73
    n-methylformamide 26.13
    2-pentanol 2.93
    n-pentane 0.09
    1-propoxy-2-propanol 19.64
    1-methoxy-2-propyl acetate 36.77
    2-(2-methoxypropoxy) propanol 23.52
    mesitylene 2.43
    ε-caprolactone 35.02
    p-cymene 3.94
    epichlorohydrin 83.45
    1,1,1-trichloroethane 11.38
    2-aminoethanol 6.57
    morpholine-4-carbaldehyde 81.75
    sulfolane 75.82
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 24.6
    n-hexyl acetate 12.98
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 28.08
    sec-butyl acetate 11.4
    tert-butyl acetate 23.02
    decalin 0.3
    glycerin 13.38
    diglyme 57.27
    acrylic acid 15.17
    isopropyl myristate 6.88
    n-butyric acid 14.6
    acetyl acetate 17.28
    di(2-ethylhexyl) phthalate 9.61
    ethyl propionate 12.42
    nitromethane 60.16
    1,2-diethoxyethane 15.55
    benzonitrile 14.35
    trioctyl phosphate 7.24
    1-bromopropane 3.7
    gamma-valerolactone 96.87
    n-decanol 3.13
    triethyl phosphate 10.47
    4-methyl-2-pentanol 3.81
    propionitrile 9.05
    vinylene carbonate 29.96
    1,1,2-trichlorotrifluoroethane 49.18
    DMS 30.19
    cumene 2.38
    2-octanol 3.17
    2-hexanone 10.17
    octyl acetate 8.14
    limonene 4.03
    1,2-dimethoxyethane 38.58
    ethyl orthosilicate 9.84
    tributyl phosphate 8.04
    diacetone alcohol 31.53
    N,N-dimethylaniline 8.7
    acrylonitrile 20.64
    aniline 11.56
    1,3-propanediol 12.7
    bromobenzene 7.01
    dibromomethane 7.38
    1,1,2,2-tetrachloroethane 28.0
    2-methyl-cyclohexyl acetate 14.82
    tetrabutyl urea 12.54
    diisobutyl methanol 4.15
    2-phenylethanol 18.83
    styrene 3.02
    dioctyl adipate 10.49
    dimethyl sulfate 50.24
    ethyl butyrate 12.3
    methyl lactate 20.47
    butyl lactate 12.88
    diethyl carbonate 10.6
    propanediol butyl ether 12.56
    triethyl orthoformate 11.48
    p-tert-butyltoluene 3.86
    methyl 4-tert-butylbenzoate 22.3
    morpholine 36.48
    tert-butylamine 2.85
    n-dodecanol 2.43
    dimethoxymethane 50.67
    ethylene carbonate 23.73
    cyrene 29.31
    2-ethoxyethyl acetate 27.46
    2-ethylhexyl acetate 17.03
    1,2,4-trichlorobenzene 15.09
    4-methylpyridine 26.81
    dibutyl ether 4.13
    2,6-dimethyl-4-heptanol 4.15
    DEF 27.17
    dimethyl isosorbide 49.83
    tetrachloroethylene 17.53
    eugenol 22.08
    triacetin 20.22
    span 80 14.15
    1,4-butanediol 3.48
    1,1-dichloroethane 8.57
    2-methyl-1-pentanol 4.18
    methyl formate 23.28
    2-methyl-1-butanol 4.21
    n-decane 0.29
    butyronitrile 6.31
    3,7-dimethyl-1-octanol 4.92
    1-chlorooctane 1.68
    1-chlorotetradecane 0.96
    n-nonane 0.2
    undecane 0.24
    tert-butylcyclohexane 0.26
    cyclooctane 0.11
    cyclopentanol 7.58
    tetrahydropyran 15.99
    tert-amyl methyl ether 5.8
    2,5,8-trioxanonane 42.5
    1-hexene 0.47
    2-isopropoxyethanol 13.15
    2,2,2-trifluoroethanol 11.99
    methyl butyrate 15.25

    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