4a,1-(Epoxymethano)-4aH-fluorene-8a(4bH)-acetic acid, decahydro-2-hydroxy-9-(methoxycarbonyl)-1,7-dimethyl-11-oxo-, ethyl ester, [1S-(1I+/-,2I(2),4aI+/-,4bI(2),7I(2),8aI+/-,9I(2),9aI(2))]-

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  • Identifiers

    CAS number
    68799-62-2

    Molecular formula
    C22H32O7

    SMILES
    CCOC(=O)CC12CC(CCC1C34CCC(C(C3C2C(=O)OC)(C(=O)O4)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.0%
    Woody 33.24%
    Floral 26.97%
    Fruity 25.91%
    Lactonic 24.63%
    Fresh 24.33%
    Mint 24.05%
    Jasmin 23.95%
    Herbal 23.29%
    Spicy 22.76%

     

    Flavor
    Bitter 85.34%
    Bland 24.06%
    Cedarleaf 23.15%
    Sweet-like 22.73%
    Odorless 22.69%
    Ripe apricot 20.89%
    Heather 20.81%
    Broom 20.75%
    Parsley 20.59%
    Fatty 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.33 (neutral)

    Molecular weight
    408.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    542°C

    Flash point

    • 203.61 ˚C est.

  • Synonyms

    • DTXSID801099438
    • 4a,1-(Epoxymethano)-4aH-fluorene-8a(4bH)-acetic acid, decahydro-2-hydroxy-9-(methoxycarbonyl)-1,7-dimethyl-11-oxo-, ethyl ester, [1S-(1I+/-,2I(2),4aI+/-,4bI(2),7I(2),8aI+/-,9I(2),9aI(2))]-
    • 68799-62-2
    • 68799-62-2

  • Applications

    4a,1-(Epoxymethano)-4aH-fluorene-8a(4bH)-acetic acid, decahydro-2-hydroxy-9-(methoxycarbonyl)-1,7-dimethyl-11-oxo-, ethyl ester, [1S-(1I+/-,2I(2),4aI+/-,4bI(2),7I(2),8aI+/-,9I(2),9aI(2))]- is a rigid, multicyclic fluorene-based ester with an epoxide group that is widely used as a synthetic intermediate; in industry it is primarily employed as a building block for fluorene-containing polymers and small-molecule materials, enabling subsequent functionalization via the epoxide to tailor crosslinking, solubility, and thermal properties. It is commonly evaluated for electronics and optoelectronics applications, serving as a precursor to materials for OLEDs, organic photovoltaics, and charge-transport systems. The compound's ester and epoxide functionalities also support use in high-performance coatings and UV-curable inks, where it can act as a crosslinkable unit that imparts rigidity and thermal stability. In research contexts, it may be used as a chiral building block for stereochemically defined fluorene derivatives or as an intermediate in pharmaceutical/agrochemical synthesis under appropriate regulatory controls. Subject to local regulations and formulation limits. CAS 68799-62-2

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.14
    methanol 820.84
    isopropanol 145.32
    water 4.03
    ethyl acetate 432.45
    n-propanol 223.39
    acetone 793.03
    n-butanol 164.69
    acetonitrile 284.17
    DMF 2549.21
    toluene 176.07
    isobutanol 134.33
    1,4-dioxane 697.89
    methyl acetate 411.06
    THF 1378.87
    2-butanone 431.53
    n-pentanol 99.48
    sec-butanol 97.37
    n-hexane 1.93
    ethylene glycol 192.51
    NMP 2644.16
    cyclohexane 4.63
    DMSO 1420.98
    n-butyl acetate 124.54
    n-octanol 27.09
    chloroform 929.59
    n-propyl acetate 175.03
    acetic acid 1525.25
    dichloromethane 806.03
    cyclohexanone 807.46
    propylene glycol 216.31
    isopropyl acetate 228.35
    DMAc 1438.66
    2-ethoxyethanol 352.84
    isopentanol 102.19
    n-heptane 1.31
    ethyl formate 318.45
    1,2-dichloroethane 443.24
    n-hexanol 69.09
    2-methoxyethanol 861.24
    isobutyl acetate 97.08
    tetrachloromethane 76.39
    n-pentyl acetate 104.98
    transcutol 361.31
    n-heptanol 39.07
    ethylbenzene 56.13
    MIBK 166.5
    2-propoxyethanol 381.53
    tert-butanol 96.33
    MTBE 48.2
    2-butoxyethanol 180.9
    propionic acid 508.5
    o-xylene 87.28
    formic acid 1274.9
    diethyl ether 108.75
    m-xylene 107.47
    p-xylene 73.54
    chlorobenzene 299.7
    dimethyl carbonate 689.1
    n-octane 0.66
    formamide 1546.32
    cyclopentanone 1618.89
    2-pentanone 369.59
    anisole 176.72
    cyclopentyl methyl ether 368.47
    gamma-butyrolactone 2274.51
    1-methoxy-2-propanol 645.28
    pyridine 801.89
    3-pentanone 282.29
    furfural 1576.99
    n-dodecane 0.72
    diethylene glycol 394.05
    diisopropyl ether 20.17
    tert-amyl alcohol 61.75
    acetylacetone 707.47
    n-hexadecane 0.9
    acetophenone 284.15
    methyl propionate 588.12
    isopentyl acetate 101.66
    trichloroethylene 1319.22
    n-nonanol 27.97
    cyclohexanol 158.33
    benzyl alcohol 262.53
    2-ethylhexanol 31.58
    isooctanol 29.76
    dipropyl ether 37.91
    1,2-dichlorobenzene 279.02
    ethyl lactate 185.23
    propylene carbonate 933.46
    n-methylformamide 1478.01
    2-pentanol 71.97
    n-pentane 2.32
    1-propoxy-2-propanol 190.66
    1-methoxy-2-propyl acetate 290.68
    2-(2-methoxypropoxy) propanol 135.7
    mesitylene 44.3
    ε-caprolactone 760.92
    p-cymene 22.21
    epichlorohydrin 1538.79
    1,1,1-trichloroethane 303.05
    2-aminoethanol 291.88
    morpholine-4-carbaldehyde 1999.5
    sulfolane 2263.94
    2,2,4-trimethylpentane 1.37
    2-methyltetrahydrofuran 460.02
    n-hexyl acetate 115.56
    isooctane 1.2
    2-(2-butoxyethoxy)ethanol 174.65
    sec-butyl acetate 110.52
    tert-butyl acetate 160.05
    decalin 3.62
    glycerin 513.78
    diglyme 360.4
    acrylic acid 799.71
    isopropyl myristate 34.35
    n-butyric acid 528.63
    acetyl acetate 452.65
    di(2-ethylhexyl) phthalate 73.26
    ethyl propionate 185.73
    nitromethane 2403.98
    1,2-diethoxyethane 85.37
    benzonitrile 283.88
    trioctyl phosphate 45.67
    1-bromopropane 118.59
    gamma-valerolactone 2338.34
    n-decanol 17.68
    triethyl phosphate 63.07
    4-methyl-2-pentanol 40.02
    propionitrile 207.66
    vinylene carbonate 1020.67
    1,1,2-trichlorotrifluoroethane 1235.59
    DMS 247.1
    cumene 29.61
    2-octanol 19.91
    2-hexanone 145.67
    octyl acetate 55.01
    limonene 27.47
    1,2-dimethoxyethane 379.77
    ethyl orthosilicate 49.92
    tributyl phosphate 51.25
    diacetone alcohol 245.35
    N,N-dimethylaniline 120.05
    acrylonitrile 476.25
    aniline 331.72
    1,3-propanediol 337.64
    bromobenzene 284.44
    dibromomethane 371.74
    1,1,2,2-tetrachloroethane 765.39
    2-methyl-cyclohexyl acetate 93.0
    tetrabutyl urea 75.1
    diisobutyl methanol 16.82
    2-phenylethanol 180.6
    styrene 76.7
    dioctyl adipate 80.72
    dimethyl sulfate 1164.73
    ethyl butyrate 96.79
    methyl lactate 573.23
    butyl lactate 130.58
    diethyl carbonate 76.51
    propanediol butyl ether 163.57
    triethyl orthoformate 70.46
    p-tert-butyltoluene 21.03
    methyl 4-tert-butylbenzoate 166.74
    morpholine 851.51
    tert-butylamine 26.48
    n-dodecanol 11.47
    dimethoxymethane 1147.12
    ethylene carbonate 729.64
    cyrene 379.96
    2-ethoxyethyl acetate 207.24
    2-ethylhexyl acetate 75.64
    1,2,4-trichlorobenzene 399.28
    4-methylpyridine 668.54
    dibutyl ether 19.75
    2,6-dimethyl-4-heptanol 16.82
    DEF 529.62
    dimethyl isosorbide 321.42
    tetrachloroethylene 493.7
    eugenol 177.03
    triacetin 221.36
    span 80 143.81
    1,4-butanediol 139.41
    1,1-dichloroethane 360.52
    2-methyl-1-pentanol 67.19
    methyl formate 1261.46
    2-methyl-1-butanol 98.3
    n-decane 1.32
    butyronitrile 157.48
    3,7-dimethyl-1-octanol 25.97
    1-chlorooctane 11.16
    1-chlorotetradecane 4.12
    n-nonane 0.99
    undecane 0.94
    tert-butylcyclohexane 2.4
    cyclooctane 1.84
    cyclopentanol 314.42
    tetrahydropyran 347.03
    tert-amyl methyl ether 50.43
    2,5,8-trioxanonane 228.5
    1-hexene 13.26
    2-isopropoxyethanol 184.17
    2,2,2-trifluoroethanol 746.83
    methyl butyrate 226.85

    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