4-Hydroxy-9-fluorenone

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  • Identifiers

    CAS number
    1986-00-1

    Molecular formula
    C13H8O2

    SMILES
    C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 54.15%
    Odorless 35.26%
    Sweet 34.65%
    Balsamic 30.04%
    Bitter 30.0%
    Spicy 28.92%
    Medicinal 28.72%
    Fruity 28.54%
    Powdery 26.03%
    Burnt 25.76%

     

    Flavor
    Bitter 96.19%
    Very strong 19.6%
    Indole 19.19%
    Lovage 18.94%
    Nitrile 18.93%
    Cedarleaf 18.26%
    Moth ball 18.06%
    Naphthelene 17.84%
    Rotten 17.6%
    Sweet-like 17.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.45 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    436°C

    Flash point

    • 195.47 ˚C est.

  • Synonyms

    • 4-Hydroxy-9-fluorenone
    • 9H-Fluoren-9-one, 4-hydroxy-
    • 1986-00-1
    • 4-Hydroxy-9H-fluoren-9-one
    • FLUOREN-9-ONE, 4-HYDROXY-
    • NSC 49683
    • ET9DO70BWV
    • BRN 2096590
    • NSC-49683
    • DTXSID30173610
    • 4-08-00-01384 (Beilstein Handbook Reference)
    • RefChem:523936
    • DTXCID9096101
    • 9H-Fluoren-9-one, 4-hydroxy-(9CI)
    • 631-553-1
    • 2-Hydroxy-9-fluorenone
    • 4-hydroxyfluoren-9-one
    • UNII-ET9DO70BWV
    • 4-hydroxy-fluoren-9-one
    • SCHEMBL2076402
    • 4-Hydroxy-9-fluorenone, 98%
    • SCHEMBL30420953
    • OZLKIIAMQWXVKQ-UHFFFAOYSA-
    • WLN: L B656 HVJ CQ
    • 4-Hydroxy-9H-fluoren-9-one #
    • BAA98600
    • NSC49683
    • AKOS006316474
    • CS-0256556
    • C07723
    • EN300-6496811
    • InChI=1/C13H8O2/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7,14H
    • 1986-00-1

  • Applications

    4-Hydroxy-9-fluorenone (CAS 1986-00-1) is used primarily as a synthetic building block in fluorene chemistry. It serves as an intermediate for the preparation of fluorene-based dyes and pigments, and for the synthesis of pharmaceutical and agrochemical intermediates. The hydroxy group enables functionalization, allowing use as a precursor in polymer and coating formulations, including fluorene-containing polymers and advanced materials. It is also explored as a chromophore unit in organic electronics and photochemical applications, and can be encountered as a route to photoactive materials and analytical reagents. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.01
    methanol 16.32
    isopropanol 12.56
    water 0.34
    ethyl acetate 35.85
    n-propanol 12.74
    acetone 72.84
    n-butanol 12.43
    acetonitrile 28.31
    DMF 266.3
    toluene 22.56
    isobutanol 9.34
    1,4-dioxane 66.75
    methyl acetate 42.94
    THF 79.62
    2-butanone 48.54
    n-pentanol 14.43
    sec-butanol 8.89
    n-hexane 1.1
    ethylene glycol 17.81
    NMP 122.0
    cyclohexane 1.77
    DMSO 141.09
    n-butyl acetate 36.45
    n-octanol 30.87
    chloroform 74.07
    n-propyl acetate 34.83
    acetic acid 25.07
    dichloromethane 93.79
    cyclohexanone 79.44
    propylene glycol 7.87
    isopropyl acetate 30.11
    DMAc 162.08
    2-ethoxyethanol 37.72
    isopentanol 12.2
    n-heptane 3.46
    ethyl formate 45.17
    1,2-dichloroethane 81.9
    n-hexanol 24.68
    2-methoxyethanol 59.92
    isobutyl acetate 22.99
    tetrachloromethane 14.39
    n-pentyl acetate 45.84
    transcutol 64.19
    n-heptanol 27.79
    ethylbenzene 23.41
    MIBK 32.84
    2-propoxyethanol 53.88
    tert-butanol 17.38
    MTBE 13.83
    2-butoxyethanol 49.47
    propionic acid 19.61
    o-xylene 22.65
    formic acid 11.75
    diethyl ether 17.65
    m-xylene 23.94
    p-xylene 28.57
    chlorobenzene 38.57
    dimethyl carbonate 52.63
    n-octane 3.99
    formamide 39.94
    cyclopentanone 108.11
    2-pentanone 44.62
    anisole 46.46
    cyclopentyl methyl ether 29.93
    gamma-butyrolactone 105.44
    1-methoxy-2-propanol 40.15
    pyridine 73.55
    3-pentanone 35.13
    furfural 112.85
    n-dodecane 5.3
    diethylene glycol 56.2
    diisopropyl ether 8.57
    tert-amyl alcohol 12.44
    acetylacetone 78.3
    n-hexadecane 6.13
    acetophenone 63.8
    methyl propionate 42.91
    isopentyl acetate 34.8
    trichloroethylene 133.78
    n-nonanol 29.29
    cyclohexanol 13.66
    benzyl alcohol 39.24
    2-ethylhexanol 20.17
    isooctanol 22.96
    dipropyl ether 20.82
    1,2-dichlorobenzene 49.05
    ethyl lactate 28.12
    propylene carbonate 58.84
    n-methylformamide 76.96
    2-pentanol 8.43
    n-pentane 0.99
    1-propoxy-2-propanol 34.57
    1-methoxy-2-propyl acetate 47.55
    2-(2-methoxypropoxy) propanol 43.56
    mesitylene 18.42
    ε-caprolactone 61.68
    p-cymene 21.36
    epichlorohydrin 114.73
    1,1,1-trichloroethane 46.91
    2-aminoethanol 16.09
    morpholine-4-carbaldehyde 120.94
    sulfolane 125.68
    2,2,4-trimethylpentane 1.17
    2-methyltetrahydrofuran 35.62
    n-hexyl acetate 54.51
    isooctane 1.49
    2-(2-butoxyethoxy)ethanol 50.95
    sec-butyl acetate 22.24
    tert-butyl acetate 32.47
    decalin 3.25
    glycerin 21.51
    diglyme 105.62
    acrylic acid 25.83
    isopropyl myristate 29.36
    n-butyric acid 25.98
    acetyl acetate 35.6
    di(2-ethylhexyl) phthalate 27.71
    ethyl propionate 32.89
    nitromethane 73.0
    1,2-diethoxyethane 37.01
    benzonitrile 60.18
    trioctyl phosphate 24.87
    1-bromopropane 21.13
    gamma-valerolactone 126.7
    n-decanol 24.09
    triethyl phosphate 24.28
    4-methyl-2-pentanol 9.08
    propionitrile 28.83
    vinylene carbonate 69.53
    1,1,2-trichlorotrifluoroethane 74.91
    DMS 51.95
    cumene 18.97
    2-octanol 23.14
    2-hexanone 41.17
    octyl acetate 37.19
    limonene 21.1
    1,2-dimethoxyethane 87.84
    ethyl orthosilicate 21.36
    tributyl phosphate 24.2
    diacetone alcohol 42.77
    N,N-dimethylaniline 41.23
    acrylonitrile 54.36
    aniline 25.17
    1,3-propanediol 22.62
    bromobenzene 40.28
    dibromomethane 50.13
    1,1,2,2-tetrachloroethane 90.34
    2-methyl-cyclohexyl acetate 32.54
    tetrabutyl urea 44.18
    diisobutyl methanol 14.96
    2-phenylethanol 49.4
    styrene 25.09
    dioctyl adipate 37.48
    dimethyl sulfate 78.71
    ethyl butyrate 32.88
    methyl lactate 34.58
    butyl lactate 32.15
    diethyl carbonate 27.09
    propanediol butyl ether 35.37
    triethyl orthoformate 24.74
    p-tert-butyltoluene 18.84
    methyl 4-tert-butylbenzoate 57.61
    morpholine 51.62
    tert-butylamine 9.8
    n-dodecanol 20.26
    dimethoxymethane 102.48
    ethylene carbonate 55.56
    cyrene 52.32
    2-ethoxyethyl acetate 54.59
    2-ethylhexyl acetate 28.88
    1,2,4-trichlorobenzene 50.21
    4-methylpyridine 62.67
    dibutyl ether 26.23
    2,6-dimethyl-4-heptanol 14.96
    DEF 70.23
    dimethyl isosorbide 71.59
    tetrachloroethylene 69.55
    eugenol 62.92
    triacetin 50.95
    span 80 36.1
    1,4-butanediol 14.27
    1,1-dichloroethane 42.09
    2-methyl-1-pentanol 14.21
    methyl formate 72.05
    2-methyl-1-butanol 9.83
    n-decane 7.26
    butyronitrile 26.86
    3,7-dimethyl-1-octanol 20.77
    1-chlorooctane 26.6
    1-chlorotetradecane 12.98
    n-nonane 6.07
    undecane 6.13
    tert-butylcyclohexane 3.28
    cyclooctane 1.38
    cyclopentanol 17.38
    tetrahydropyran 30.47
    tert-amyl methyl ether 13.45
    2,5,8-trioxanonane 80.0
    1-hexene 5.69
    2-isopropoxyethanol 29.94
    2,2,2-trifluoroethanol 22.22
    methyl butyrate 44.29

    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