4,4a,9,9a-Tetrahydro-1,4-methano-1H-fluorene

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  • Identifiers

    CAS number
    6143-33-5

    Molecular formula
    C14H14

    SMILES
    C1C2C=CC1C3C2CC4=CC=CC=C34

    Safety labels

  • Odor profile

    Fragrance
    Green 54.22%
    Sweet 42.09%
    Floral 41.93%
    Herbal 41.88%
    Fruity 40.56%
    Earthy 35.77%
    Fresh 34.85%
    Spicy 33.1%
    Rose 31.65%
    Metallic 31.53%

     

    Flavor
    Bitter 35.91%
    Animal 31.07%
    Alkaline 20.7%
    Fruity 20.46%
    Sweet 20.31%
    Moth ball 20.27%
    Herb 20.14%
    Indole 20.09%
    Very strong 19.97%
    Naphthelene 19.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.03 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    290°C

    Flash point

    • 111.73 ˚C est.

  • Synonyms

    • 6143-33-5
    • 1,4-Methano-1,4,4a,9a-tetrahydrofluorene
    • 1,4-Methano-1H-fluorene, 4,4a,9,9a-tetrahydro-
    • 47B42IYC7R
    • 1,4-Methanofluorene, 1,4,4a,9a-tetrahydro-
    • 4,4a,9,9a-tetrahydro-1,4-Methano-1H-fluorene
    • DTXSID701258455
    • RefChem:1069355
    • DTXCID301689181
    • UNII-47B42IYC7R
    • 1,4,4a,9a-tetrahydro-1,4-methanofluorene
    • SCHEMBL413013
    • SCHEMBL8513506
    • SCHEMBL8513509
    • SCHEMBL29370901
    • NS00127734
    • 4,4a,9,9a-Tetrahydro-1H-1,4-methanofluorene
    • H60372
    • Q27259038
    • 6143-33-5

  • Applications

    4,4a,9,9a-Tetrahydro-1,4-methano-1H-fluorene (CAS 6143-33-5) is primarily used as an organic synthesis intermediate for polycyclic derivatives and as a rigid hydrocarbon scaffold in polymers and coatings. It is commonly evaluated as a building block for fluorene-based materials intended for electronic and coating applications, and can serve as a platform structure for the development of specialty chemicals and related materials research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.92
    methanol 31.03
    isopropanol 41.13
    water 0.28
    ethyl acetate 161.69
    n-propanol 53.07
    acetone 167.06
    n-butanol 57.83
    acetonitrile 83.0
    DMF 147.21
    toluene 246.2
    isobutanol 43.48
    1,4-dioxane 337.69
    methyl acetate 138.13
    THF 369.54
    2-butanone 145.74
    n-pentanol 43.71
    sec-butanol 36.65
    n-hexane 27.17
    ethylene glycol 17.05
    NMP 128.24
    cyclohexane 64.09
    DMSO 124.33
    n-butyl acetate 162.84
    n-octanol 54.87
    chloroform 394.79
    n-propyl acetate 119.38
    acetic acid 45.97
    dichloromethane 431.01
    cyclohexanone 245.08
    propylene glycol 22.55
    isopropyl acetate 121.9
    DMAc 137.02
    2-ethoxyethanol 75.32
    isopentanol 58.85
    n-heptane 52.18
    ethyl formate 98.26
    1,2-dichloroethane 253.74
    n-hexanol 89.32
    2-methoxyethanol 98.2
    isobutyl acetate 106.56
    tetrachloromethane 88.77
    n-pentyl acetate 89.53
    transcutol 333.61
    n-heptanol 52.37
    ethylbenzene 125.94
    MIBK 117.72
    2-propoxyethanol 136.58
    tert-butanol 55.6
    MTBE 84.95
    2-butoxyethanol 79.16
    propionic acid 57.22
    o-xylene 132.5
    formic acid 10.38
    diethyl ether 140.47
    m-xylene 156.93
    p-xylene 129.01
    chlorobenzene 205.73
    dimethyl carbonate 95.42
    n-octane 24.27
    formamide 22.36
    cyclopentanone 262.5
    2-pentanone 146.13
    anisole 172.11
    cyclopentyl methyl ether 177.2
    gamma-butyrolactone 245.61
    1-methoxy-2-propanol 94.08
    pyridine 276.88
    3-pentanone 137.33
    furfural 204.72
    n-dodecane 24.04
    diethylene glycol 97.99
    diisopropyl ether 68.76
    tert-amyl alcohol 41.09
    acetylacetone 191.76
    n-hexadecane 27.6
    acetophenone 149.09
    methyl propionate 129.09
    isopentyl acetate 156.62
    trichloroethylene 384.54
    n-nonanol 56.78
    cyclohexanol 73.27
    benzyl alcohol 98.73
    2-ethylhexanol 80.64
    isooctanol 50.47
    dipropyl ether 152.53
    1,2-dichlorobenzene 176.11
    ethyl lactate 57.81
    propylene carbonate 157.03
    n-methylformamide 57.81
    2-pentanol 43.69
    n-pentane 27.68
    1-propoxy-2-propanol 112.43
    1-methoxy-2-propyl acetate 175.29
    2-(2-methoxypropoxy) propanol 113.82
    mesitylene 105.44
    ε-caprolactone 181.62
    p-cymene 94.48
    epichlorohydrin 272.88
    1,1,1-trichloroethane 212.66
    2-aminoethanol 25.96
    morpholine-4-carbaldehyde 183.53
    sulfolane 197.94
    2,2,4-trimethylpentane 17.07
    2-methyltetrahydrofuran 201.83
    n-hexyl acetate 121.8
    isooctane 20.07
    2-(2-butoxyethoxy)ethanol 135.51
    sec-butyl acetate 99.68
    tert-butyl acetate 124.18
    decalin 42.42
    glycerin 34.58
    diglyme 260.55
    acrylic acid 53.88
    isopropyl myristate 82.52
    n-butyric acid 90.26
    acetyl acetate 138.81
    di(2-ethylhexyl) phthalate 71.39
    ethyl propionate 124.93
    nitromethane 109.84
    1,2-diethoxyethane 193.79
    benzonitrile 144.37
    trioctyl phosphate 52.72
    1-bromopropane 169.2
    gamma-valerolactone 254.13
    n-decanol 50.84
    triethyl phosphate 78.21
    4-methyl-2-pentanol 47.05
    propionitrile 98.77
    vinylene carbonate 163.94
    1,1,2-trichlorotrifluoroethane 115.29
    DMS 132.96
    cumene 89.01
    2-octanol 38.28
    2-hexanone 116.48
    octyl acetate 87.19
    limonene 109.2
    1,2-dimethoxyethane 189.51
    ethyl orthosilicate 74.89
    tributyl phosphate 61.15
    diacetone alcohol 95.88
    N,N-dimethylaniline 117.3
    acrylonitrile 114.07
    aniline 130.75
    1,3-propanediol 46.77
    bromobenzene 266.61
    dibromomethane 302.53
    1,1,2,2-tetrachloroethane 260.57
    2-methyl-cyclohexyl acetate 124.69
    tetrabutyl urea 78.83
    diisobutyl methanol 68.37
    2-phenylethanol 129.28
    styrene 141.32
    dioctyl adipate 105.85
    dimethyl sulfate 105.25
    ethyl butyrate 151.09
    methyl lactate 60.85
    butyl lactate 62.78
    diethyl carbonate 114.4
    propanediol butyl ether 64.56
    triethyl orthoformate 103.4
    p-tert-butyltoluene 87.45
    methyl 4-tert-butylbenzoate 121.71
    morpholine 224.83
    tert-butylamine 43.83
    n-dodecanol 46.43
    dimethoxymethane 189.44
    ethylene carbonate 145.92
    cyrene 101.17
    2-ethoxyethyl acetate 128.92
    2-ethylhexyl acetate 134.86
    1,2,4-trichlorobenzene 184.24
    4-methylpyridine 223.88
    dibutyl ether 108.62
    2,6-dimethyl-4-heptanol 68.37
    DEF 133.5
    dimethyl isosorbide 201.87
    tetrachloroethylene 188.85
    eugenol 109.47
    triacetin 135.09
    span 80 92.46
    1,4-butanediol 26.61
    1,1-dichloroethane 197.18
    2-methyl-1-pentanol 47.23
    methyl formate 66.25
    2-methyl-1-butanol 46.79
    n-decane 31.94
    butyronitrile 95.65
    3,7-dimethyl-1-octanol 68.49
    1-chlorooctane 73.31
    1-chlorotetradecane 43.81
    n-nonane 30.3
    undecane 27.24
    tert-butylcyclohexane 33.71
    cyclooctane 40.13
    cyclopentanol 69.81
    tetrahydropyran 241.3
    tert-amyl methyl ether 68.12
    2,5,8-trioxanonane 188.85
    1-hexene 67.73
    2-isopropoxyethanol 67.12
    2,2,2-trifluoroethanol 29.35
    methyl butyrate 132.53

    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