4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-

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  • Identifiers

    CAS number
    51115-88-9

    Molecular formula
    C15H24O

    SMILES
    CC1(CCC2C3(C14CCC(C3)(CC4)C)O2)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.13%
    Amber 63.74%
    Dry 57.99%
    Cedar 48.53%
    Musk 46.35%
    Earthy 37.92%
    Spicy 37.36%
    Vetiver 36.43%
    Animal 30.91%
    Green 29.85%

     

    Flavor
    Earthy 47.79%
    Camphor 39.85%
    Earth 36.19%
    Woody 36.18%
    Sweet 35.98%
    Dry 32.97%
    Spicy 28.07%
    Pine 27.46%
    Old paper 27.28%
    Fresh 25.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.62 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    290°C

    Flash point

    • 113.29 ˚C est.

  • Synonyms

    • EINECS 256-991-7
    • Octahydro-4,4,7-trimethyl-4a,7-ethano-4aH-naphth(1,8a-b)oxirene
    • 4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl-
    • DTXSID40866182
    • Octahydro-4,4,7-trimethyl-4a,7-ethano-4aH-naphth[1,8a-b]oxirene
    • 4a,7-Ethano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,7-trimethyl-
    • RefChem:296696
    • DTXCID70814499
    • 256-991-7
    • 51115-88-9
    • SCHEMBL29827859
    • KGWCEBVNLVTVQH-UHFFFAOYSA-N
    • NS00013075
    • 4,4,7-Trimethyloctahydro-4a,7-ethanonaphtho[1,8a-b]oxirene
    • 51115-88-9

  • Applications

    4a,7-Ethano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,7-trimethyl- (CAS 51115-88-9) may be used as an organic-synthesis intermediate and a stereochemical building block for complex polycyclic frameworks. In medicinal chemistry, it can serve as a precursor for advanced intermediates and target compounds. Its epoxide-containing bicyclic skeleton offers potential as a starting point for the development of specialty polymers and crosslinked systems used in coatings and inks. The rigid framework is of interest in materials science and electronics research as a scaffold for new functional materials. In industrial manufacturing, it may be evaluated as a versatile precursor for the synthesis of fine chemicals, subject to applicable regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.28
    methanol 38.91
    isopropanol 37.18
    water 0.72
    ethyl acetate 94.74
    n-propanol 51.31
    acetone 96.59
    n-butanol 50.97
    acetonitrile 95.18
    DMF 106.22
    toluene 164.98
    isobutanol 38.65
    1,4-dioxane 185.14
    methyl acetate 91.07
    THF 322.31
    2-butanone 96.95
    n-pentanol 33.42
    sec-butanol 29.72
    n-hexane 10.53
    ethylene glycol 10.59
    NMP 154.68
    cyclohexane 37.28
    DMSO 54.45
    n-butyl acetate 105.49
    n-octanol 35.42
    chloroform 353.69
    n-propyl acetate 73.91
    acetic acid 53.89
    dichloromethane 263.4
    cyclohexanone 200.13
    propylene glycol 13.42
    isopropyl acetate 87.94
    DMAc 99.26
    2-ethoxyethanol 47.54
    isopentanol 44.37
    n-heptane 17.09
    ethyl formate 66.31
    1,2-dichloroethane 129.54
    n-hexanol 62.68
    2-methoxyethanol 69.79
    isobutyl acetate 74.3
    tetrachloromethane 78.0
    n-pentyl acetate 80.57
    transcutol 120.98
    n-heptanol 43.92
    ethylbenzene 73.26
    MIBK 79.41
    2-propoxyethanol 106.99
    tert-butanol 41.22
    MTBE 53.14
    2-butoxyethanol 71.89
    propionic acid 54.58
    o-xylene 95.97
    formic acid 18.41
    diethyl ether 71.39
    m-xylene 113.46
    p-xylene 98.14
    chlorobenzene 166.02
    dimethyl carbonate 58.35
    n-octane 7.45
    formamide 34.72
    cyclopentanone 243.44
    2-pentanone 91.64
    anisole 100.46
    cyclopentyl methyl ether 142.74
    gamma-butyrolactone 231.1
    1-methoxy-2-propanol 63.27
    pyridine 225.34
    3-pentanone 83.21
    furfural 191.2
    n-dodecane 7.32
    diethylene glycol 66.72
    diisopropyl ether 38.15
    tert-amyl alcohol 30.46
    acetylacetone 121.39
    n-hexadecane 8.73
    acetophenone 102.15
    methyl propionate 85.5
    isopentyl acetate 112.85
    trichloroethylene 270.28
    n-nonanol 37.81
    cyclohexanol 64.91
    benzyl alcohol 71.84
    2-ethylhexanol 49.77
    isooctanol 39.48
    dipropyl ether 67.69
    1,2-dichlorobenzene 155.57
    ethyl lactate 42.41
    propylene carbonate 144.07
    n-methylformamide 60.29
    2-pentanol 33.5
    n-pentane 13.77
    1-propoxy-2-propanol 79.52
    1-methoxy-2-propyl acetate 118.04
    2-(2-methoxypropoxy) propanol 67.98
    mesitylene 76.96
    ε-caprolactone 171.27
    p-cymene 62.53
    epichlorohydrin 195.02
    1,1,1-trichloroethane 152.83
    2-aminoethanol 24.33
    morpholine-4-carbaldehyde 154.08
    sulfolane 164.82
    2,2,4-trimethylpentane 9.42
    2-methyltetrahydrofuran 163.05
    n-hexyl acetate 94.02
    isooctane 10.22
    2-(2-butoxyethoxy)ethanol 73.14
    sec-butyl acetate 64.0
    tert-butyl acetate 90.89
    decalin 22.42
    glycerin 20.14
    diglyme 141.18
    acrylic acid 52.37
    isopropyl myristate 51.19
    n-butyric acid 80.7
    acetyl acetate 89.95
    di(2-ethylhexyl) phthalate 50.85
    ethyl propionate 74.01
    nitromethane 104.68
    1,2-diethoxyethane 78.1
    benzonitrile 137.49
    trioctyl phosphate 38.48
    1-bromopropane 88.32
    gamma-valerolactone 245.77
    n-decanol 29.46
    triethyl phosphate 54.39
    4-methyl-2-pentanol 32.34
    propionitrile 88.81
    vinylene carbonate 154.66
    1,1,2-trichlorotrifluoroethane 104.28
    DMS 94.44
    cumene 52.56
    2-octanol 29.35
    2-hexanone 71.4
    octyl acetate 55.49
    limonene 67.99
    1,2-dimethoxyethane 101.76
    ethyl orthosilicate 52.88
    tributyl phosphate 43.04
    diacetone alcohol 70.54
    N,N-dimethylaniline 71.61
    acrylonitrile 103.64
    aniline 110.88
    1,3-propanediol 39.57
    bromobenzene 198.73
    dibromomethane 178.43
    1,1,2,2-tetrachloroethane 186.41
    2-methyl-cyclohexyl acetate 92.31
    tetrabutyl urea 51.93
    diisobutyl methanol 39.74
    2-phenylethanol 102.9
    styrene 82.71
    dioctyl adipate 61.81
    dimethyl sulfate 64.83
    ethyl butyrate 88.77
    methyl lactate 42.49
    butyl lactate 60.23
    diethyl carbonate 69.27
    propanediol butyl ether 46.44
    triethyl orthoformate 75.37
    p-tert-butyltoluene 62.54
    methyl 4-tert-butylbenzoate 95.46
    morpholine 160.69
    tert-butylamine 34.02
    n-dodecanol 23.87
    dimethoxymethane 104.36
    ethylene carbonate 130.62
    cyrene 79.85
    2-ethoxyethyl acetate 103.03
    2-ethylhexyl acetate 102.05
    1,2,4-trichlorobenzene 166.22
    4-methylpyridine 192.51
    dibutyl ether 46.02
    2,6-dimethyl-4-heptanol 39.74
    DEF 84.87
    dimethyl isosorbide 142.07
    tetrachloroethylene 138.73
    eugenol 81.26
    triacetin 96.71
    span 80 65.43
    1,4-butanediol 18.46
    1,1-dichloroethane 133.95
    2-methyl-1-pentanol 32.31
    methyl formate 53.74
    2-methyl-1-butanol 37.34
    n-decane 11.85
    butyronitrile 86.28
    3,7-dimethyl-1-octanol 40.53
    1-chlorooctane 35.73
    1-chlorotetradecane 18.35
    n-nonane 10.06
    undecane 9.13
    tert-butylcyclohexane 16.98
    cyclooctane 18.14
    cyclopentanol 72.4
    tetrahydropyran 174.22
    tert-amyl methyl ether 42.44
    2,5,8-trioxanonane 97.15
    1-hexene 29.61
    2-isopropoxyethanol 43.09
    2,2,2-trifluoroethanol 37.24
    methyl butyrate 82.43

    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