3H-1,4-Epoxy-5,10a-methano-1H-cyclopent[c]oxonin-10-ol, octahydro-1,4,7a-trimethyl-, (1S,4R,5R,7aR,10R,10aR)-

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  • Identifiers

    CAS number
    210106-16-4

    Molecular formula
    C15H24O3

    SMILES
    C[C@]12CC[C@@H]3C[C@@]1([C@@H](CC2)O)[C@]4(OC[C@@]3(O4)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.06%
    Herbal 39.99%
    Amber 37.45%
    Fresh 36.64%
    Earthy 36.03%
    Camphoreous 34.52%
    Cedar 32.33%
    Spicy 32.29%
    Mint 32.12%
    Dry 30.36%

     

    Flavor
    Earthy 45.85%
    Earth 33.78%
    Green 31.02%
    Herbal 30.54%
    Minty 29.47%
    Camphor 28.95%
    Bitter 27.52%
    Sweet 25.94%
    Spicy 24.72%
    Pine 24.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.86 (neutral)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    361°C

    Flash point

    • 146.64 ˚C est.

  • Synonyms

    • 210106-16-4
    • 3H-1,4-Epoxy-5,10a-methano-1H-cyclopent[c]oxonin-10-ol, octahydro-1,4,7a-trimethyl-, (1S,4R,5R,7aR,10R,10aR)-
    • 3H-1,4-Epoxy-5,10a-methano-1H-cyclopent(c)oxonin-10-ol, octahydro-1,4,7a-trimethyl-, (1S,4R,5R,7aR,10R,10aR)-
    • RefChem:283046
    • DTXSID301108997
    • 210106-16-4

  • Applications

    CAS 210106-16-4, 3H-1,4-Epoxy-5,10a-methano-1H-cyclopent[c]oxonin-10-ol, octahydro-1,4,7a-trimethyl-, (1S,4R,5R,7aR,10R,10aR)- is a bicyclic terpenoid-like compound containing an epoxy group and a hydroxyl functionality, commonly used as a chiral building block in organic synthesis. Real-world applications are typically as (1) a chiral intermediate for pharmaceutical and agrochemical development; (2) a fragrance/perfumery intermediate or odor-active scaffold; (3) a cosmetic/personal care ingredient or intermediate; (4) a specialty chemical intermediate for polymer, coatings, or related materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.41
    methanol 149.55
    isopropanol 62.09
    water 11.58
    ethyl acetate 118.88
    n-propanol 69.45
    acetone 180.36
    n-butanol 64.46
    acetonitrile 182.83
    DMF 396.24
    toluene 144.55
    isobutanol 56.34
    1,4-dioxane 265.22
    methyl acetate 130.13
    THF 434.3
    2-butanone 132.97
    n-pentanol 40.27
    sec-butanol 40.59
    n-hexane 3.25
    ethylene glycol 50.28
    NMP 280.12
    cyclohexane 12.86
    DMSO 217.03
    n-butyl acetate 82.77
    n-octanol 38.57
    chloroform 489.75
    n-propyl acetate 81.01
    acetic acid 119.26
    dichloromethane 365.43
    cyclohexanone 254.41
    propylene glycol 42.76
    isopropyl acetate 95.94
    DMAc 207.26
    2-ethoxyethanol 83.43
    isopentanol 57.44
    n-heptane 4.92
    ethyl formate 115.23
    1,2-dichloroethane 164.33
    n-hexanol 58.33
    2-methoxyethanol 182.38
    isobutyl acetate 72.04
    tetrachloromethane 79.1
    n-pentyl acetate 77.17
    transcutol 145.52
    n-heptanol 41.82
    ethylbenzene 51.77
    MIBK 98.91
    2-propoxyethanol 150.76
    tert-butanol 63.62
    MTBE 39.9
    2-butoxyethanol 89.57
    propionic acid 103.48
    o-xylene 82.97
    formic acid 91.05
    diethyl ether 55.39
    m-xylene 106.05
    p-xylene 81.49
    chlorobenzene 180.4
    dimethyl carbonate 129.0
    n-octane 3.09
    formamide 143.96
    cyclopentanone 350.35
    2-pentanone 120.7
    anisole 98.28
    cyclopentyl methyl ether 139.61
    gamma-butyrolactone 389.94
    1-methoxy-2-propanol 158.31
    pyridine 261.33
    3-pentanone 103.1
    furfural 349.51
    n-dodecane 3.94
    diethylene glycol 155.52
    diisopropyl ether 28.29
    tert-amyl alcohol 36.3
    acetylacetone 191.81
    n-hexadecane 4.77
    acetophenone 116.49
    methyl propionate 124.95
    isopentyl acetate 82.79
    trichloroethylene 379.94
    n-nonanol 39.31
    cyclohexanol 88.35
    benzyl alcohol 98.15
    2-ethylhexanol 40.74
    isooctanol 37.81
    dipropyl ether 41.86
    1,2-dichlorobenzene 168.92
    ethyl lactate 72.72
    propylene carbonate 204.55
    n-methylformamide 228.41
    2-pentanol 41.73
    n-pentane 4.97
    1-propoxy-2-propanol 98.7
    1-methoxy-2-propyl acetate 131.83
    2-(2-methoxypropoxy) propanol 88.33
    mesitylene 70.47
    ε-caprolactone 197.18
    p-cymene 42.95
    epichlorohydrin 319.12
    1,1,1-trichloroethane 176.91
    2-aminoethanol 73.32
    morpholine-4-carbaldehyde 317.48
    sulfolane 327.03
    2,2,4-trimethylpentane 3.97
    2-methyltetrahydrofuran 160.2
    n-hexyl acetate 93.2
    isooctane 4.96
    2-(2-butoxyethoxy)ethanol 95.32
    sec-butyl acetate 66.06
    tert-butyl acetate 95.5
    decalin 9.47
    glycerin 93.65
    diglyme 186.25
    acrylic acid 123.12
    isopropyl myristate 45.72
    n-butyric acid 127.14
    acetyl acetate 137.32
    di(2-ethylhexyl) phthalate 58.25
    ethyl propionate 86.07
    nitromethane 324.85
    1,2-diethoxyethane 63.23
    benzonitrile 175.79
    trioctyl phosphate 44.58
    1-bromopropane 74.07
    gamma-valerolactone 392.08
    n-decanol 30.26
    triethyl phosphate 54.02
    4-methyl-2-pentanol 38.27
    propionitrile 140.69
    vinylene carbonate 258.5
    1,1,2-trichlorotrifluoroethane 199.58
    DMS 116.46
    cumene 40.64
    2-octanol 30.31
    2-hexanone 75.85
    octyl acetate 52.86
    limonene 46.49
    1,2-dimethoxyethane 163.11
    ethyl orthosilicate 47.71
    tributyl phosphate 48.71
    diacetone alcohol 105.86
    N,N-dimethylaniline 72.67
    acrylonitrile 224.22
    aniline 136.18
    1,3-propanediol 92.76
    bromobenzene 200.01
    dibromomethane 194.59
    1,1,2,2-tetrachloroethane 261.98
    2-methyl-cyclohexyl acetate 76.88
    tetrabutyl urea 63.26
    diisobutyl methanol 33.22
    2-phenylethanol 106.86
    styrene 61.7
    dioctyl adipate 63.85
    dimethyl sulfate 183.22
    ethyl butyrate 74.88
    methyl lactate 108.47
    butyl lactate 74.0
    diethyl carbonate 64.23
    propanediol butyl ether 71.68
    triethyl orthoformate 62.09
    p-tert-butyltoluene 40.8
    methyl 4-tert-butylbenzoate 108.0
    morpholine 212.51
    tert-butylamine 36.74
    n-dodecanol 23.13
    dimethoxymethane 270.06
    ethylene carbonate 206.57
    cyrene 124.61
    2-ethoxyethyl acetate 105.27
    2-ethylhexyl acetate 70.07
    1,2,4-trichlorobenzene 190.97
    4-methylpyridine 219.8
    dibutyl ether 31.26
    2,6-dimethyl-4-heptanol 33.22
    DEF 120.31
    dimethyl isosorbide 166.16
    tetrachloroethylene 187.92
    eugenol 109.76
    triacetin 112.3
    span 80 78.53
    1,4-butanediol 42.16
    1,1-dichloroethane 155.66
    2-methyl-1-pentanol 38.06
    methyl formate 212.65
    2-methyl-1-butanol 48.32
    n-decane 6.29
    butyronitrile 112.98
    3,7-dimethyl-1-octanol 39.87
    1-chlorooctane 26.41
    1-chlorotetradecane 12.67
    n-nonane 4.95
    undecane 4.86
    tert-butylcyclohexane 7.5
    cyclooctane 5.72
    cyclopentanol 111.91
    tetrahydropyran 158.87
    tert-amyl methyl ether 34.0
    2,5,8-trioxanonane 135.48
    1-hexene 13.97
    2-isopropoxyethanol 65.6
    2,2,2-trifluoroethanol 102.07
    methyl butyrate 101.3

    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