9,9-Bis(methoxymethyl)-9H-fluorene

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  • Identifiers

    CAS number
    182121-12-6

    Molecular formula
    C17H18O2

    SMILES
    COCC1(C2=CC=CC=C2C3=CC=CC=C31)COC

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 80.19%
    Fruity 49.4%
    Rose 45.85%
    Green 43.52%
    Earthy 39.79%
    Sweet 32.66%
    Fresh 31.42%
    Lily 28.79%
    Powdery 28.22%
    Neroli 28.05%

     

    Flavor
    Bitter 54.53%
    Fruity 35.86%
    Floral 35.4%
    Earthy 31.07%
    Rose 27.97%
    Hummus 21.83%
    Rosy 21.3%
    Chrysanthemum 21.15%
    Green 20.89%
    Sweet 20.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.48 (weak acid)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Flash point

    • 184.05 ˚C est.

  • Synonyms

    • 9,9-Bis(methoxymethyl)-9H-fluorene
    • 182121-12-6
    • 9,9-bis(methoxymethyl)fluorene
    • 9,9-di(methoxymethyl)fluorene
    • 9H-Fluorene, 9,9-bis(methoxymethyl)-
    • 7R9SWM24D0
    • DTXSID50453547
    • RefChem:548976
    • DTXCID40404366
    • 424-650-3
    • 682-678-3
    • MFCD19441380
    • 9,?9-?Bis(methoxymethyl)?-?9H-?fluorene
    • UNII-7R9SWM24D0
    • SCHEMBL233774
    • SCHEMBL29415598
    • 9,9-bis(methoxymethyl)-fluorene
    • 9,9-Bis(methoxylmethyl) fluorine
    • ZWINORFLMHROGF-UHFFFAOYSA-N
    • AKOS016012252
    • CS-W018600
    • DS-6851
    • AC-33613
    • SY105707
    • DB-333873
    • B6223
    • NS00113017
    • F320532
    • Q27887399
    • 182121-12-6

  • Applications

    9,9-Bis(methoxymethyl)-9H-fluorene (CAS 182121-12-6) is typically used as a synthetic intermediate and protected fluorene building block, serving as a di-functional precursor for the preparation of fluorene-based polymers and resins. It can serve as a monomer or crosslinking precursor in systems such as resin formulations and UV-curable coatings and specialty adhesives, thanks to its rigid aryl core and two MOM-protected sites. It is also explored as a starting point for electronics- and optoelectronics-related fluorene-based materials after deprotection and further functionalization. In research and development, it often appears as an intermediate for fluorene-derived dyes and multifunctional architectures, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.57
    methanol 66.12
    isopropanol 41.48
    water 0.39
    ethyl acetate 111.38
    n-propanol 73.06
    acetone 144.83
    n-butanol 64.68
    acetonitrile 79.52
    DMF 291.97
    toluene 119.61
    isobutanol 51.59
    1,4-dioxane 274.61
    methyl acetate 126.04
    THF 388.2
    2-butanone 119.95
    n-pentanol 53.03
    sec-butanol 33.0
    n-hexane 6.94
    ethylene glycol 40.04
    NMP 287.67
    cyclohexane 30.12
    DMSO 132.16
    n-butyl acetate 89.27
    n-octanol 31.89
    chloroform 799.62
    n-propyl acetate 92.71
    acetic acid 100.56
    dichloromethane 735.61
    cyclohexanone 265.95
    propylene glycol 24.3
    isopropyl acetate 68.92
    DMAc 186.31
    2-ethoxyethanol 102.61
    isopentanol 51.65
    n-heptane 12.13
    ethyl formate 158.23
    1,2-dichloroethane 439.2
    n-hexanol 75.22
    2-methoxyethanol 158.61
    isobutyl acetate 86.11
    tetrachloromethane 116.12
    n-pentyl acetate 77.45
    transcutol 78.96
    n-heptanol 48.6
    ethylbenzene 68.54
    MIBK 69.36
    2-propoxyethanol 133.12
    tert-butanol 43.33
    MTBE 40.09
    2-butoxyethanol 90.94
    propionic acid 78.9
    o-xylene 69.9
    formic acid 37.83
    diethyl ether 79.41
    m-xylene 70.71
    p-xylene 83.86
    chlorobenzene 212.76
    dimethyl carbonate 104.97
    n-octane 8.03
    formamide 72.15
    cyclopentanone 364.17
    2-pentanone 101.75
    anisole 110.93
    cyclopentyl methyl ether 151.64
    gamma-butyrolactone 418.97
    1-methoxy-2-propanol 83.01
    pyridine 333.45
    3-pentanone 89.75
    furfural 357.39
    n-dodecane 5.99
    diethylene glycol 113.22
    diisopropyl ether 23.02
    tert-amyl alcohol 32.91
    acetylacetone 133.7
    n-hexadecane 7.01
    acetophenone 126.11
    methyl propionate 115.56
    isopentyl acetate 88.52
    trichloroethylene 792.04
    n-nonanol 32.62
    cyclohexanol 86.45
    benzyl alcohol 118.59
    2-ethylhexanol 52.95
    isooctanol 40.72
    dipropyl ether 59.06
    1,2-dichlorobenzene 196.29
    ethyl lactate 56.24
    propylene carbonate 234.02
    n-methylformamide 154.13
    2-pentanol 30.04
    n-pentane 8.29
    1-propoxy-2-propanol 66.37
    1-methoxy-2-propyl acetate 88.08
    2-(2-methoxypropoxy) propanol 49.21
    mesitylene 43.69
    ε-caprolactone 219.35
    p-cymene 48.83
    epichlorohydrin 495.43
    1,1,1-trichloroethane 292.21
    2-aminoethanol 55.37
    morpholine-4-carbaldehyde 260.17
    sulfolane 337.31
    2,2,4-trimethylpentane 5.64
    2-methyltetrahydrofuran 199.53
    n-hexyl acetate 77.08
    isooctane 5.02
    2-(2-butoxyethoxy)ethanol 64.9
    sec-butyl acetate 60.91
    tert-butyl acetate 66.2
    decalin 16.79
    glycerin 48.35
    diglyme 151.54
    acrylic acid 98.75
    isopropyl myristate 34.25
    n-butyric acid 114.33
    acetyl acetate 86.77
    di(2-ethylhexyl) phthalate 44.19
    ethyl propionate 76.82
    nitromethane 175.42
    1,2-diethoxyethane 60.88
    benzonitrile 157.11
    trioctyl phosphate 32.18
    1-bromopropane 157.09
    gamma-valerolactone 377.73
    n-decanol 25.87
    triethyl phosphate 52.96
    4-methyl-2-pentanol 24.31
    propionitrile 90.98
    vinylene carbonate 256.34
    1,1,2-trichlorotrifluoroethane 274.61
    DMS 84.18
    cumene 50.76
    2-octanol 28.33
    2-hexanone 86.14
    octyl acetate 44.13
    limonene 56.07
    1,2-dimethoxyethane 176.52
    ethyl orthosilicate 49.49
    tributyl phosphate 33.78
    diacetone alcohol 71.86
    N,N-dimethylaniline 84.6
    acrylonitrile 134.93
    aniline 128.83
    1,3-propanediol 79.7
    bromobenzene 233.81
    dibromomethane 421.56
    1,1,2,2-tetrachloroethane 557.71
    2-methyl-cyclohexyl acetate 83.38
    tetrabutyl urea 46.93
    diisobutyl methanol 28.81
    2-phenylethanol 114.12
    styrene 87.63
    dioctyl adipate 54.65
    dimethyl sulfate 137.08
    ethyl butyrate 83.28
    methyl lactate 64.88
    butyl lactate 53.81
    diethyl carbonate 69.04
    propanediol butyl ether 43.26
    triethyl orthoformate 61.54
    p-tert-butyltoluene 43.43
    methyl 4-tert-butylbenzoate 89.41
    morpholine 263.46
    tert-butylamine 27.48
    n-dodecanol 21.19
    dimethoxymethane 200.78
    ethylene carbonate 203.13
    cyrene 113.32
    2-ethoxyethyl acetate 96.78
    2-ethylhexyl acetate 75.33
    1,2,4-trichlorobenzene 218.08
    4-methylpyridine 232.36
    dibutyl ether 34.9
    2,6-dimethyl-4-heptanol 28.81
    DEF 134.46
    dimethyl isosorbide 121.57
    tetrachloroethylene 382.84
    eugenol 86.07
    triacetin 74.09
    span 80 47.91
    1,4-butanediol 43.14
    1,1-dichloroethane 259.09
    2-methyl-1-pentanol 48.71
    methyl formate 179.73
    2-methyl-1-butanol 48.69
    n-decane 9.62
    butyronitrile 93.91
    3,7-dimethyl-1-octanol 28.68
    1-chlorooctane 39.1
    1-chlorotetradecane 17.89
    n-nonane 8.99
    undecane 7.28
    tert-butylcyclohexane 12.5
    cyclooctane 11.36
    cyclopentanol 105.08
    tetrahydropyran 219.28
    tert-amyl methyl ether 35.85
    2,5,8-trioxanonane 96.44
    1-hexene 27.02
    2-isopropoxyethanol 70.69
    2,2,2-trifluoroethanol 67.74
    methyl butyrate 114.78

    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