Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-

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  • Identifiers

    CAS number
    68926-75-0

    Molecular formula
    C15H24O

    SMILES
    CC1CCC2C3(C1(C4C(C4(C)C)CC3)C)O2

  • Odor profile

    Fragrance
    Woody 85.33%
    Amber 55.02%
    Dry 46.27%
    Cedar 45.79%
    Spicy 41.67%
    Vetiver 41.35%
    Sandalwood 40.38%
    Herbal 38.75%
    Earthy 38.62%
    Balsamic 36.22%

     

    Flavor
    Woody 50.25%
    Earthy 48.07%
    Herbal 43.9%
    Camphor 42.42%
    Green 38.16%
    Pine 35.79%
    Sweet 35.29%
    Earth 34.14%
    Spicy 33.11%
    Balsam 30.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.51 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    289°C

    Flash point

    • 106.99 ˚C est.

  • Synonyms

    • Calarene epoxide
    • EINECS 272-995-1
    • 68926-75-0
    • Decahydro-1,7,7,7b-tetramethyl-cyclopropa(5,6)naphth(1,8a-b)oxirane
    • Cyclopropa(5,6)naphth(1,8a-b)oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
    • Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-
    • 1,10-epoxyaristolane
    • DTXSID90867760
    • NS00125861
    • 1,7,7,7b-Tetramethyldecahydrocyclopropa[5,6]naphtho[1,8a-b]oxirene #
    • (1R-(1alpha,3abeta,4aR*,6aalpha,7aalpha,7balpha))-Decahydro-1,7,7,7b-tetramethylcyclopropa(5,6)naphth(1,8a-b)oxirene
    • Cyclopropa5,6naphth1,8a-boxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)-

  • Applications

    Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-, (1R,3aS,4aR,6aR,7aS,7bR)- (CAS 68926-75-0) is primarily used as a synthetic intermediate in pharmaceutical and agrochemical research. Its epoxide-containing framework enables ring-opening functionalization, making it suitable as a chiral building block or ligand precursor for asymmetric synthesis. The compound’s rigid polycyclic core and the epoxide handle also support applications in polymer chemistry, coatings, and specialty materials, where it can serve as a reactive intermediate for crosslinking or resin formulation. It is commonly evaluated in early-stage development as a scaffold for exploring conformational relationships and as a precursor to more complex polycyclic structures. Additionally, it may be used as a research chemical for structure-activity studies within materials science programs, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.82
    methanol 71.33
    isopropanol 64.98
    water 1.68
    ethyl acetate 116.42
    n-propanol 73.4
    acetone 136.1
    n-butanol 70.82
    acetonitrile 97.63
    DMF 172.29
    toluene 167.5
    isobutanol 60.59
    1,4-dioxane 230.34
    methyl acetate 117.4
    THF 371.72
    2-butanone 129.54
    n-pentanol 52.96
    sec-butanol 49.53
    n-hexane 13.73
    ethylene glycol 26.77
    NMP 174.87
    cyclohexane 33.35
    DMSO 99.13
    n-butyl acetate 125.9
    n-octanol 54.32
    chloroform 359.4
    n-propyl acetate 92.46
    acetic acid 66.84
    dichloromethane 292.73
    cyclohexanone 226.89
    propylene glycol 27.4
    isopropyl acetate 108.11
    DMAc 140.65
    2-ethoxyethanol 86.38
    isopentanol 65.48
    n-heptane 20.2
    ethyl formate 88.18
    1,2-dichloroethane 172.36
    n-hexanol 87.76
    2-methoxyethanol 126.72
    isobutyl acetate 90.81
    tetrachloromethane 94.27
    n-pentyl acetate 110.38
    transcutol 156.89
    n-heptanol 67.17
    ethylbenzene 90.27
    MIBK 110.57
    2-propoxyethanol 156.19
    tert-butanol 68.1
    MTBE 80.18
    2-butoxyethanol 113.64
    propionic acid 68.21
    o-xylene 111.81
    formic acid 26.34
    diethyl ether 94.22
    m-xylene 133.83
    p-xylene 120.1
    chlorobenzene 182.3
    dimethyl carbonate 79.1
    n-octane 11.84
    formamide 47.85
    cyclopentanone 283.36
    2-pentanone 121.45
    anisole 133.76
    cyclopentyl methyl ether 157.03
    gamma-butyrolactone 271.99
    1-methoxy-2-propanol 108.51
    pyridine 225.91
    3-pentanone 107.51
    furfural 233.86
    n-dodecane 11.35
    diethylene glycol 116.83
    diisopropyl ether 54.57
    tert-amyl alcohol 51.28
    acetylacetone 159.88
    n-hexadecane 13.21
    acetophenone 131.49
    methyl propionate 107.49
    isopentyl acetate 135.53
    trichloroethylene 305.72
    n-nonanol 54.79
    cyclohexanol 80.75
    benzyl alcohol 99.02
    2-ethylhexanol 69.95
    isooctanol 60.96
    dipropyl ether 78.06
    1,2-dichlorobenzene 177.97
    ethyl lactate 64.57
    propylene carbonate 158.99
    n-methylformamide 88.32
    2-pentanol 51.08
    n-pentane 16.82
    1-propoxy-2-propanol 110.93
    1-methoxy-2-propyl acetate 149.25
    2-(2-methoxypropoxy) propanol 93.43
    mesitylene 93.8
    ε-caprolactone 187.22
    p-cymene 79.94
    epichlorohydrin 271.44
    1,1,1-trichloroethane 185.98
    2-aminoethanol 48.58
    morpholine-4-carbaldehyde 204.42
    sulfolane 222.68
    2,2,4-trimethylpentane 12.69
    2-methyltetrahydrofuran 192.25
    n-hexyl acetate 121.74
    isooctane 14.74
    2-(2-butoxyethoxy)ethanol 105.69
    sec-butyl acetate 82.36
    tert-butyl acetate 118.61
    decalin 25.74
    glycerin 41.83
    diglyme 206.06
    acrylic acid 67.97
    isopropyl myristate 65.95
    n-butyric acid 95.59
    acetyl acetate 110.95
    di(2-ethylhexyl) phthalate 66.5
    ethyl propionate 95.75
    nitromethane 129.16
    1,2-diethoxyethane 96.27
    benzonitrile 164.02
    trioctyl phosphate 52.16
    1-bromopropane 105.56
    gamma-valerolactone 303.9
    n-decanol 43.56
    triethyl phosphate 66.51
    4-methyl-2-pentanol 49.72
    propionitrile 105.97
    vinylene carbonate 173.87
    1,1,2-trichlorotrifluoroethane 135.51
    DMS 123.08
    cumene 72.5
    2-octanol 48.63
    2-hexanone 95.86
    octyl acetate 71.66
    limonene 80.89
    1,2-dimethoxyethane 154.09
    ethyl orthosilicate 65.09
    tributyl phosphate 55.8
    diacetone alcohol 101.33
    N,N-dimethylaniline 94.28
    acrylonitrile 128.1
    aniline 114.73
    1,3-propanediol 69.92
    bromobenzene 210.65
    dibromomethane 197.34
    1,1,2,2-tetrachloroethane 216.08
    2-methyl-cyclohexyl acetate 108.36
    tetrabutyl urea 69.18
    diisobutyl methanol 53.83
    2-phenylethanol 133.09
    styrene 95.56
    dioctyl adipate 77.54
    dimethyl sulfate 98.38
    ethyl butyrate 102.27
    methyl lactate 66.32
    butyl lactate 82.65
    diethyl carbonate 82.02
    propanediol butyl ether 74.83
    triethyl orthoformate 86.65
    p-tert-butyltoluene 76.13
    methyl 4-tert-butylbenzoate 127.22
    morpholine 191.77
    tert-butylamine 51.66
    n-dodecanol 36.11
    dimethoxymethane 164.9
    ethylene carbonate 146.65
    cyrene 105.43
    2-ethoxyethyl acetate 140.67
    2-ethylhexyl acetate 119.77
    1,2,4-trichlorobenzene 182.36
    4-methylpyridine 210.0
    dibutyl ether 58.92
    2,6-dimethyl-4-heptanol 53.83
    DEF 107.73
    dimethyl isosorbide 168.0
    tetrachloroethylene 168.39
    eugenol 114.8
    triacetin 122.64
    span 80 81.65
    1,4-butanediol 38.34
    1,1-dichloroethane 162.03
    2-methyl-1-pentanol 50.73
    methyl formate 86.21
    2-methyl-1-butanol 56.81
    n-decane 17.16
    butyronitrile 102.45
    3,7-dimethyl-1-octanol 57.18
    1-chlorooctane 50.98
    1-chlorotetradecane 26.07
    n-nonane 14.85
    undecane 13.61
    tert-butylcyclohexane 23.01
    cyclooctane 19.13
    cyclopentanol 91.34
    tetrahydropyran 183.49
    tert-amyl methyl ether 61.81
    2,5,8-trioxanonane 138.08
    1-hexene 37.91
    2-isopropoxyethanol 77.23
    2,2,2-trifluoroethanol 51.9
    methyl butyrate 105.51

    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