2,3-Dimethylfluorene

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  • Identifiers

    CAS number
    4612-63-9

    Molecular formula
    C15H14

    SMILES
    CC1=CC2=C(C=C1C)C3=CC=CC=C3C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 48.05%
    Animal 44.53%
    Woody 34.86%
    Leathery 32.09%
    Musk 30.45%
    Fruity 28.97%
    Phenolic 28.29%
    Dry 27.67%
    Sweet 26.4%
    Earthy 25.85%

     

    Flavor
    Bitter 31.52%
    Animal 28.88%
    Very strong 22.56%
    Fecal 22.41%
    Indole 22.38%
    Flat 21.33%
    Moth ball 19.88%
    Naphthelene 19.85%
    Tar 19.68%
    Tarry 19.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.85 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Flash point

    • 157.5 ˚C est.

  • Synonyms

    • 2,3-Dimethylfluorene
    • 2,3-DIMETHYL-9H-FLUORENE
    • CCRIS 4260
    • Fluorene, 2,3-dimethyl-
    • 9H-Fluorene, 2,3-dimethyl-
    • 4612-63-9
    • DTXSID20196732
    • RefChem:81854
    • DTXCID60119223
    • WZKBKKCKPZMGHV-UHFFFAOYSA-N
    • 2,3-dimeth-ylfluorene
    • SCHEMBL218437
    • SCHEMBL5025484
    • SCHEMBL18428558
    • DB-239476
    • NS00095847
    • 4612-63-9

  • Applications

    2,3-Dimethylfluorene (CAS 4612-63-9) is primarily used as a synthesis intermediate, notably for dyes and pigments. It serves as a building block for fluorene-based polymers used in organic electronic materials and related polymer systems for displays and OLED technology. In industry, it is used as a precursor for coatings and specialty inks formulations, and is studied as a component for high-performance polymer materials and organic semiconductor formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.87
    methanol 16.88
    isopropanol 14.39
    water 0.05
    ethyl acetate 157.72
    n-propanol 27.04
    acetone 79.41
    n-butanol 25.82
    acetonitrile 41.22
    DMF 129.67
    toluene 223.14
    isobutanol 18.27
    1,4-dioxane 426.51
    methyl acetate 132.47
    THF 322.9
    2-butanone 123.18
    n-pentanol 23.85
    sec-butanol 17.63
    n-hexane 23.93
    ethylene glycol 5.04
    NMP 101.18
    cyclohexane 33.65
    DMSO 44.0
    n-butyl acetate 169.37
    n-octanol 20.19
    chloroform 326.79
    n-propyl acetate 104.0
    acetic acid 21.93
    dichloromethane 348.41
    cyclohexanone 167.99
    propylene glycol 7.17
    isopropyl acetate 114.22
    DMAc 170.75
    2-ethoxyethanol 54.45
    isopentanol 27.58
    n-heptane 24.23
    ethyl formate 52.36
    1,2-dichloroethane 267.07
    n-hexanol 49.25
    2-methoxyethanol 63.18
    isobutyl acetate 115.79
    tetrachloromethane 56.84
    n-pentyl acetate 77.56
    transcutol 310.46
    n-heptanol 23.81
    ethylbenzene 139.6
    MIBK 80.33
    2-propoxyethanol 98.6
    tert-butanol 26.47
    MTBE 104.04
    2-butoxyethanol 51.28
    propionic acid 28.07
    o-xylene 117.54
    formic acid 4.89
    diethyl ether 172.03
    m-xylene 118.96
    p-xylene 150.33
    chlorobenzene 133.04
    dimethyl carbonate 89.7
    n-octane 12.49
    formamide 14.17
    cyclopentanone 192.66
    2-pentanone 89.87
    anisole 234.08
    cyclopentyl methyl ether 130.21
    gamma-butyrolactone 167.49
    1-methoxy-2-propanol 48.23
    pyridine 311.7
    3-pentanone 130.18
    furfural 151.83
    n-dodecane 8.78
    diethylene glycol 52.17
    diisopropyl ether 66.81
    tert-amyl alcohol 27.54
    acetylacetone 162.19
    n-hexadecane 10.97
    acetophenone 160.59
    methyl propionate 112.02
    isopentyl acetate 199.21
    trichloroethylene 440.66
    n-nonanol 24.65
    cyclohexanol 27.63
    benzyl alcohol 69.98
    2-ethylhexanol 51.59
    isooctanol 26.09
    dipropyl ether 144.45
    1,2-dichlorobenzene 141.34
    ethyl lactate 32.38
    propylene carbonate 108.41
    n-methylformamide 33.77
    2-pentanol 18.0
    n-pentane 12.35
    1-propoxy-2-propanol 66.05
    1-methoxy-2-propyl acetate 192.2
    2-(2-methoxypropoxy) propanol 94.1
    mesitylene 90.73
    ε-caprolactone 145.62
    p-cymene 79.47
    epichlorohydrin 252.69
    1,1,1-trichloroethane 201.46
    2-aminoethanol 10.68
    morpholine-4-carbaldehyde 190.22
    sulfolane 121.04
    2,2,4-trimethylpentane 12.0
    2-methyltetrahydrofuran 164.29
    n-hexyl acetate 96.03
    isooctane 10.67
    2-(2-butoxyethoxy)ethanol 102.83
    sec-butyl acetate 107.0
    tert-butyl acetate 146.79
    decalin 35.58
    glycerin 12.73
    diglyme 272.72
    acrylic acid 26.17
    isopropyl myristate 72.6
    n-butyric acid 44.36
    acetyl acetate 135.49
    di(2-ethylhexyl) phthalate 62.0
    ethyl propionate 114.56
    nitromethane 69.08
    1,2-diethoxyethane 261.89
    benzonitrile 86.42
    trioctyl phosphate 33.45
    1-bromopropane 125.31
    gamma-valerolactone 226.25
    n-decanol 21.46
    triethyl phosphate 83.98
    4-methyl-2-pentanol 22.24
    propionitrile 60.4
    vinylene carbonate 115.12
    1,1,2-trichlorotrifluoroethane 95.7
    DMS 165.36
    cumene 96.87
    2-octanol 17.52
    2-hexanone 97.47
    octyl acetate 68.59
    limonene 84.8
    1,2-dimethoxyethane 216.3
    ethyl orthosilicate 87.42
    tributyl phosphate 47.13
    diacetone alcohol 72.04
    N,N-dimethylaniline 154.35
    acrylonitrile 69.75
    aniline 93.39
    1,3-propanediol 19.93
    bromobenzene 189.77
    dibromomethane 209.16
    1,1,2,2-tetrachloroethane 294.43
    2-methyl-cyclohexyl acetate 132.33
    tetrabutyl urea 64.92
    diisobutyl methanol 43.83
    2-phenylethanol 99.21
    styrene 158.88
    dioctyl adipate 98.66
    dimethyl sulfate 94.26
    ethyl butyrate 142.32
    methyl lactate 31.96
    butyl lactate 38.78
    diethyl carbonate 114.94
    propanediol butyl ether 29.65
    triethyl orthoformate 117.26
    p-tert-butyltoluene 83.11
    methyl 4-tert-butylbenzoate 125.44
    morpholine 268.51
    tert-butylamine 22.1
    n-dodecanol 19.91
    dimethoxymethane 173.31
    ethylene carbonate 93.78
    cyrene 79.93
    2-ethoxyethyl acetate 150.63
    2-ethylhexyl acetate 184.75
    1,2,4-trichlorobenzene 172.18
    4-methylpyridine 222.99
    dibutyl ether 87.13
    2,6-dimethyl-4-heptanol 43.83
    DEF 120.26
    dimethyl isosorbide 198.8
    tetrachloroethylene 188.65
    eugenol 100.36
    triacetin 121.98
    span 80 61.81
    1,4-butanediol 9.11
    1,1-dichloroethane 137.31
    2-methyl-1-pentanol 33.04
    methyl formate 33.97
    2-methyl-1-butanol 24.4
    n-decane 13.55
    butyronitrile 48.9
    3,7-dimethyl-1-octanol 35.06
    1-chlorooctane 42.55
    1-chlorotetradecane 25.97
    n-nonane 12.1
    undecane 10.64
    tert-butylcyclohexane 34.84
    cyclooctane 23.02
    cyclopentanol 24.58
    tetrahydropyran 242.58
    tert-amyl methyl ether 81.12
    2,5,8-trioxanonane 194.45
    1-hexene 64.35
    2-isopropoxyethanol 49.99
    2,2,2-trifluoroethanol 13.77
    methyl butyrate 113.46

    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