3,4-Dihydroxyfluorene

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  • Identifiers

    CAS number
    42523-20-6

    Molecular formula
    C13H10O2

    SMILES
    C1C2=C(C3=CC=CC=C31)C(=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.05%
    Burnt 37.59%
    Odorless 36.71%
    Spicy 35.24%
    Smoky 34.14%
    Medicinal 30.69%
    Balsamic 22.93%
    Animal 22.18%
    Dry 19.09%
    Vanilla 17.45%

     

    Flavor
    Bitter 84.12%
    Sweet 23.68%
    Fruity 23.14%
    Animal 21.52%
    Very strong 21.36%
    Indole 20.87%
    Flat 19.56%
    Sweet-like 19.5%
    Naphthelene 19.34%
    Moth ball 19.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.02 (weak base)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    432°C

    Flash point

    • 211.79 ˚C est.

  • Synonyms

    • 3,4-Dihydroxyfluorene
    • 9H-fluorene-3,4-diol
    • CHEBI:28752
    • DTXSID50331573
    • RefChem:91151
    • DTXCID00282667
    • 42523-20-6
    • c0392
    • C07717
    • AC1L9AYG
    • 3-4DHFLUORENE
    • SCHEMBL20918664
    • SCHEMBL29689073
    • Q27103876
    • 42523-20-6

  • Applications

    3,4-Dihydroxyfluorene is primarily used as an organic synthesis intermediate. It serves as a building block for dyes and pigments and for functionalized fluorene-based polymers. It may be employed as a precursor in materials for coatings and adhesives, and as a monomer or derivatization candidate in electronics-oriented fluorene materials for organic electronics such as OLED components. The two phenolic hydroxyl groups enable potential antioxidant or stabilizing roles in polymer formulations, and the compound can also function as a ligand or synthetic reagent in coordination chemistry during research and development. CAS 42523-20-6.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.31
    methanol 49.23
    isopropanol 37.13
    water 0.15
    ethyl acetate 58.77
    n-propanol 32.41
    acetone 107.62
    n-butanol 29.85
    acetonitrile 36.2
    DMF 182.93
    toluene 20.22
    isobutanol 21.37
    1,4-dioxane 85.03
    methyl acetate 45.69
    THF 201.03
    2-butanone 65.64
    n-pentanol 22.28
    sec-butanol 19.25
    n-hexane 0.41
    ethylene glycol 21.86
    NMP 53.06
    cyclohexane 0.56
    DMSO 151.44
    n-butyl acetate 45.04
    n-octanol 29.69
    chloroform 21.44
    n-propyl acetate 42.34
    acetic acid 35.17
    dichloromethane 33.83
    cyclohexanone 61.11
    propylene glycol 12.69
    isopropyl acetate 44.45
    DMAc 103.32
    2-ethoxyethanol 71.0
    isopentanol 33.53
    n-heptane 2.71
    ethyl formate 39.52
    1,2-dichloroethane 46.9
    n-hexanol 37.96
    2-methoxyethanol 122.63
    isobutyl acetate 28.21
    tetrachloromethane 5.0
    n-pentyl acetate 44.53
    transcutol 155.42
    n-heptanol 35.78
    ethylbenzene 17.87
    MIBK 49.82
    2-propoxyethanol 90.82
    tert-butanol 61.61
    MTBE 35.33
    2-butoxyethanol 71.85
    propionic acid 22.13
    o-xylene 17.7
    formic acid 22.28
    diethyl ether 37.17
    m-xylene 25.06
    p-xylene 18.35
    chlorobenzene 18.77
    dimethyl carbonate 44.0
    n-octane 2.38
    formamide 83.13
    cyclopentanone 116.48
    2-pentanone 70.39
    anisole 47.62
    cyclopentyl methyl ether 44.58
    gamma-butyrolactone 111.63
    1-methoxy-2-propanol 86.49
    pyridine 64.06
    3-pentanone 35.84
    furfural 93.22
    n-dodecane 2.62
    diethylene glycol 78.7
    diisopropyl ether 14.44
    tert-amyl alcohol 32.88
    acetylacetone 92.15
    n-hexadecane 2.99
    acetophenone 48.8
    methyl propionate 47.57
    isopentyl acetate 46.08
    trichloroethylene 73.43
    n-nonanol 28.8
    cyclohexanol 16.68
    benzyl alcohol 37.56
    2-ethylhexanol 25.85
    isooctanol 31.2
    dipropyl ether 32.37
    1,2-dichlorobenzene 22.37
    ethyl lactate 27.86
    propylene carbonate 47.29
    n-methylformamide 82.78
    2-pentanol 20.86
    n-pentane 0.55
    1-propoxy-2-propanol 60.03
    1-methoxy-2-propyl acetate 64.75
    2-(2-methoxypropoxy) propanol 52.93
    mesitylene 16.14
    ε-caprolactone 48.72
    p-cymene 17.56
    epichlorohydrin 147.61
    1,1,1-trichloroethane 23.91
    2-aminoethanol 29.89
    morpholine-4-carbaldehyde 92.97
    sulfolane 112.01
    2,2,4-trimethylpentane 1.12
    2-methyltetrahydrofuran 58.16
    n-hexyl acetate 51.46
    isooctane 1.87
    2-(2-butoxyethoxy)ethanol 78.41
    sec-butyl acetate 28.7
    tert-butyl acetate 57.1
    decalin 1.82
    glycerin 36.77
    diglyme 146.61
    acrylic acid 24.64
    isopropyl myristate 24.11
    n-butyric acid 40.03
    acetyl acetate 36.84
    di(2-ethylhexyl) phthalate 21.6
    ethyl propionate 37.64
    nitromethane 104.93
    1,2-diethoxyethane 64.4
    benzonitrile 38.25
    trioctyl phosphate 19.57
    1-bromopropane 13.36
    gamma-valerolactone 115.76
    n-decanol 22.82
    triethyl phosphate 21.33
    4-methyl-2-pentanol 21.8
    propionitrile 34.15
    vinylene carbonate 45.82
    1,1,2-trichlorotrifluoroethane 70.51
    DMS 39.84
    cumene 15.25
    2-octanol 25.26
    2-hexanone 42.18
    octyl acetate 29.9
    limonene 18.35
    1,2-dimethoxyethane 123.72
    ethyl orthosilicate 20.9
    tributyl phosphate 17.97
    diacetone alcohol 77.29
    N,N-dimethylaniline 33.28
    acrylonitrile 57.46
    aniline 26.36
    1,3-propanediol 53.64
    bromobenzene 17.62
    dibromomethane 15.44
    1,1,2,2-tetrachloroethane 48.42
    2-methyl-cyclohexyl acetate 29.82
    tetrabutyl urea 28.94
    diisobutyl methanol 20.84
    2-phenylethanol 46.08
    styrene 16.13
    dioctyl adipate 30.1
    dimethyl sulfate 59.02
    ethyl butyrate 35.45
    methyl lactate 36.04
    butyl lactate 34.3
    diethyl carbonate 24.43
    propanediol butyl ether 48.56
    triethyl orthoformate 26.38
    p-tert-butyltoluene 17.36
    methyl 4-tert-butylbenzoate 51.34
    morpholine 79.4
    tert-butylamine 25.33
    n-dodecanol 18.08
    dimethoxymethane 145.24
    ethylene carbonate 35.94
    cyrene 51.18
    2-ethoxyethyl acetate 64.35
    2-ethylhexyl acetate 32.49
    1,2,4-trichlorobenzene 25.03
    4-methylpyridine 49.58
    dibutyl ether 26.82
    2,6-dimethyl-4-heptanol 20.84
    DEF 53.36
    dimethyl isosorbide 82.75
    tetrachloroethylene 35.75
    eugenol 56.79
    triacetin 46.28
    span 80 39.15
    1,4-butanediol 18.87
    1,1-dichloroethane 24.04
    2-methyl-1-pentanol 23.26
    methyl formate 67.69
    2-methyl-1-butanol 22.99
    n-decane 3.89
    butyronitrile 32.62
    3,7-dimethyl-1-octanol 25.06
    1-chlorooctane 16.6
    1-chlorotetradecane 7.67
    n-nonane 3.16
    undecane 3.19
    tert-butylcyclohexane 2.2
    cyclooctane 0.69
    cyclopentanol 20.59
    tetrahydropyran 45.64
    tert-amyl methyl ether 24.51
    2,5,8-trioxanonane 94.71
    1-hexene 3.73
    2-isopropoxyethanol 55.66
    2,2,2-trifluoroethanol 21.02
    methyl butyrate 44.11

    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