2H-4,7a-Ethanonaphth[1,2-b]oxirene, octahydro-3a,4,7b-trimethyl-

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  • Identifiers

    CAS number
    67919-67-9

    Molecular formula
    C15H24O

    SMILES
    CC12CCCC3(C1(CCC4C3(O4)C)C)CC2

  • Odor profile

    Fragrance
    Woody 75.5%
    Amber 55.64%
    Dry 50.77%
    Musk 45.73%
    Cedar 40.03%
    Vetiver 33.13%
    Earthy 32.35%
    Sandalwood 31.91%
    Animal 29.49%
    Spicy 28.25%

     

    Flavor
    Earthy 46.18%
    Camphor 44.21%
    Sweet 43.25%
    Woody 41.95%
    Dry 35.13%
    Earth 34.27%
    Pine 29.81%
    Fir needle 27.92%
    Old paper 27.81%
    Herbal 26.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.23 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    287°C

    Flash point

    • 110.37 ˚C est.

  • Synonyms

    • Ambroprene
    • 67919-67-9
    • EINECS 267-753-7
    • 2H-4,7a-Ethanonaphth[1,2-b]oxirene, octahydro-3a,4,7b-trimethyl-
    • DTXSID30867401
    • 5,6-Epoxy-1,2,6-trimethyltricyclo(5.3.2.02.7)dodecane
    • 2H-4,7a-Ethanonaphth(1,2-b)oxirene, octahydro-3a,4,7b-trimethyl-
    • Octahydro-3a,4,7b-trimethyl-2H-4,7a-ethanonaphth(1,2-b)oxirene
    • Octahydro-3a,4,7b-trimethyl-2H-4,7a-ethanonaphth[1,2-b]oxirene
    • SCHEMBL3505096
    • DTXCID00815590
    • HDKRRWIYNADEKA-UHFFFAOYSA-N
    • NS00055809
    • 2H-4,7a-Ethanonaphth1,2-boxirene, octahydro-3a,4,7b-trimethyl-
    • 267-753-7

  • Applications

    2H-4,7a-Ethanonaphth[1,2-b]oxirene, octahydro-3a,4,7b-trimethyl- (CAS 67919-67-9) is primarily regarded as a reactive, rigid bicyclic epoxide intermediate that serves as a synthetic building block for constructing complex polycyclic hydrocarbon frameworks. In practice, it is commonly evaluated as a building block in pharmaceutical and agrochemical research to prepare more complex molecules. It may also function as a monomer or crosslinking precursor in specialty polymers and coatings, enabling incorporation of the strained epoxide moiety into high-performance materials. In materials science and academic research, it can be used as a stereochemical scaffold for developing catalysts and for routes to functional derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 135.51
    methanol 173.1
    isopropanol 117.27
    water 5.33
    ethyl acetate 215.12
    n-propanol 134.12
    acetone 252.73
    n-butanol 115.62
    acetonitrile 245.01
    DMF 327.48
    toluene 246.22
    isobutanol 94.51
    1,4-dioxane 453.51
    methyl acetate 215.1
    THF 609.56
    2-butanone 202.06
    n-pentanol 64.54
    sec-butanol 71.27
    n-hexane 17.29
    ethylene glycol 55.25
    NMP 214.95
    cyclohexane 47.31
    DMSO 174.02
    n-butyl acetate 152.7
    n-octanol 51.59
    chloroform 561.9
    n-propyl acetate 129.21
    acetic acid 108.85
    dichloromethane 489.8
    cyclohexanone 307.42
    propylene glycol 41.28
    isopropyl acetate 184.79
    DMAc 205.53
    2-ethoxyethanol 135.43
    isopentanol 98.23
    n-heptane 20.52
    ethyl formate 131.93
    1,2-dichloroethane 307.27
    n-hexanol 101.48
    2-methoxyethanol 228.96
    isobutyl acetate 114.41
    tetrachloromethane 154.64
    n-pentyl acetate 116.68
    transcutol 271.9
    n-heptanol 71.1
    ethylbenzene 107.12
    MIBK 154.36
    2-propoxyethanol 241.24
    tert-butanol 114.6
    MTBE 125.6
    2-butoxyethanol 155.88
    propionic acid 112.37
    o-xylene 144.43
    formic acid 60.67
    diethyl ether 182.58
    m-xylene 178.72
    p-xylene 151.28
    chlorobenzene 258.13
    dimethyl carbonate 153.46
    n-octane 10.65
    formamide 118.32
    cyclopentanone 413.58
    2-pentanone 188.59
    anisole 204.76
    cyclopentyl methyl ether 240.61
    gamma-butyrolactone 398.55
    1-methoxy-2-propanol 189.14
    pyridine 379.06
    3-pentanone 176.63
    furfural 330.35
    n-dodecane 9.39
    diethylene glycol 180.72
    diisopropyl ether 83.57
    tert-amyl alcohol 66.06
    acetylacetone 269.55
    n-hexadecane 11.16
    acetophenone 168.14
    methyl propionate 191.45
    isopentyl acetate 160.48
    trichloroethylene 487.19
    n-nonanol 54.02
    cyclohexanol 110.88
    benzyl alcohol 122.04
    2-ethylhexanol 70.32
    isooctanol 64.96
    dipropyl ether 107.89
    1,2-dichlorobenzene 235.26
    ethyl lactate 77.99
    propylene carbonate 204.48
    n-methylformamide 191.82
    2-pentanol 76.54
    n-pentane 23.59
    1-propoxy-2-propanol 152.88
    1-methoxy-2-propyl acetate 222.97
    2-(2-methoxypropoxy) propanol 119.39
    mesitylene 128.64
    ε-caprolactone 251.2
    p-cymene 77.06
    epichlorohydrin 431.92
    1,1,1-trichloroethane 315.35
    2-aminoethanol 86.77
    morpholine-4-carbaldehyde 322.39
    sulfolane 302.22
    2,2,4-trimethylpentane 14.17
    2-methyltetrahydrofuran 271.86
    n-hexyl acetate 126.54
    isooctane 17.22
    2-(2-butoxyethoxy)ethanol 140.75
    sec-butyl acetate 111.42
    tert-butyl acetate 192.61
    decalin 28.54
    glycerin 74.73
    diglyme 312.7
    acrylic acid 108.04
    isopropyl myristate 73.43
    n-butyric acid 150.24
    acetyl acetate 195.07
    di(2-ethylhexyl) phthalate 67.31
    ethyl propionate 141.9
    nitromethane 279.36
    1,2-diethoxyethane 155.71
    benzonitrile 208.06
    trioctyl phosphate 53.61
    1-bromopropane 169.88
    gamma-valerolactone 456.6
    n-decanol 42.0
    triethyl phosphate 82.69
    4-methyl-2-pentanol 66.87
    propionitrile 228.07
    vinylene carbonate 229.36
    1,1,2-trichlorotrifluoroethane 213.38
    DMS 176.68
    cumene 80.64
    2-octanol 43.89
    2-hexanone 115.77
    octyl acetate 76.75
    limonene 82.26
    1,2-dimethoxyethane 251.53
    ethyl orthosilicate 82.74
    tributyl phosphate 59.23
    diacetone alcohol 150.89
    N,N-dimethylaniline 127.25
    acrylonitrile 279.7
    aniline 194.96
    1,3-propanediol 130.7
    bromobenzene 287.58
    dibromomethane 324.27
    1,1,2,2-tetrachloroethane 343.39
    2-methyl-cyclohexyl acetate 121.35
    tetrabutyl urea 73.05
    diisobutyl methanol 61.53
    2-phenylethanol 150.83
    styrene 127.59
    dioctyl adipate 85.34
    dimethyl sulfate 183.46
    ethyl butyrate 130.57
    methyl lactate 103.22
    butyl lactate 84.17
    diethyl carbonate 103.95
    propanediol butyl ether 86.35
    triethyl orthoformate 112.12
    p-tert-butyltoluene 80.24
    methyl 4-tert-butylbenzoate 154.72
    morpholine 363.87
    tert-butylamine 84.88
    n-dodecanol 33.77
    dimethoxymethane 332.59
    ethylene carbonate 212.22
    cyrene 119.33
    2-ethoxyethyl acetate 179.05
    2-ethylhexyl acetate 136.51
    1,2,4-trichlorobenzene 244.24
    4-methylpyridine 321.38
    dibutyl ether 73.07
    2,6-dimethyl-4-heptanol 61.53
    DEF 166.8
    dimethyl isosorbide 205.21
    tetrachloroethylene 269.26
    eugenol 143.48
    triacetin 151.84
    span 80 92.91
    1,4-butanediol 51.92
    1,1-dichloroethane 278.84
    2-methyl-1-pentanol 58.25
    methyl formate 158.42
    2-methyl-1-butanol 79.51
    n-decane 15.27
    butyronitrile 187.65
    3,7-dimethyl-1-octanol 58.28
    1-chlorooctane 49.54
    1-chlorotetradecane 25.43
    n-nonane 12.79
    undecane 11.68
    tert-butylcyclohexane 24.6
    cyclooctane 22.8
    cyclopentanol 128.52
    tetrahydropyran 311.54
    tert-amyl methyl ether 86.51
    2,5,8-trioxanonane 195.43
    1-hexene 45.87
    2-isopropoxyethanol 105.8
    2,2,2-trifluoroethanol 98.04
    methyl butyrate 145.43

    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