2-Oxabicyclo[2.2.2]octan-6-ol, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-

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  • Identifiers

    CAS number
    59861-08-4

    Molecular formula
    C15H26O2

    SMILES
    CC(=CCCC1(C2CCC(O1)(C(C2)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.01%
    Sweet 50.46%
    Fresh 49.79%
    Woody 44.14%
    Citrus 42.69%
    Herbal 38.18%
    Clean 33.89%
    Spicy 33.87%
    Lemon 32.09%
    Fruity 30.93%

     

    Flavor
    Green 41.83%
    Woody 40.21%
    Herbal 39.06%
    Minty 36.82%
    Fresh 36.73%
    Earthy 32.46%
    Floral 32.22%
    Spice 30.94%
    Flower 30.81%
    Wood 30.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.4 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Melting point expt.

    • 99 - 100 °C

    Flash point

    • 136.29 ˚C est.

  • Synonyms

    • 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-
    • 59861-08-4
    • 2-Oxabicyclo(2.2.2)octan-6-ol, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-
    • RefChem:264553
    • alpha-Bisabolol oxide C
    • Bisabolol oxide C
    • CHEBI:173145
    • DTXSID101158960
    • 1,3-DIMETHYL-3-(4-METHYLPENT-3-EN-1-YL)-2-OXABICYCLO[2.2.2]OCTAN-6-OL
    • N,N'-1,5-Anthraquinonylenedi-Anthranilic acid
    • N,N'-1,5-Anthraquinonylenedi--Anthranilic acid
    • 1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-6-ol
    • 59861-08-4

  • Applications

    2-Oxabicyclo[2.2.2]octan-6-ol, 1,3-dimethyl-3-(4-methyl-3-pentenyl)- (CAS 59861-08-4) is typically used as a synthetic intermediate and building block in fragrance chemistry, where the rigid bicyclic-ether scaffold provides a distinctive base for generating aroma compounds. It is also evaluated for use in cosmetics and personal care as a precursor to fragrance ingredients or functionalized derivatives. In industrial manufacturing and fine chemicals, the compound can serve as a specialty building block for polymers and plastics, enabling rigid cyclic architectures for customized materials. Additionally, it may be explored as a chiral intermediate in pharmaceutical or agrochemical R&D, where its stereochemical features support the synthesis of more complex molecules. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.37
    methanol 276.63
    isopropanol 203.91
    water 2.6
    ethyl acetate 290.05
    n-propanol 231.53
    acetone 191.67
    n-butanol 231.65
    acetonitrile 174.95
    DMF 259.23
    toluene 269.35
    isobutanol 175.1
    1,4-dioxane 637.97
    methyl acetate 232.2
    THF 665.56
    2-butanone 218.73
    n-pentanol 134.11
    sec-butanol 154.3
    n-hexane 24.3
    ethylene glycol 43.39
    NMP 204.83
    cyclohexane 72.7
    DMSO 173.2
    n-butyl acetate 296.48
    n-octanol 146.84
    chloroform 825.9
    n-propyl acetate 154.51
    acetic acid 214.46
    dichloromethane 569.73
    cyclohexanone 331.28
    propylene glycol 64.48
    isopropyl acetate 217.56
    DMAc 295.88
    2-ethoxyethanol 223.56
    isopentanol 208.05
    n-heptane 29.73
    ethyl formate 157.84
    1,2-dichloroethane 281.87
    n-hexanol 263.12
    2-methoxyethanol 332.86
    isobutyl acetate 143.37
    tetrachloromethane 128.98
    n-pentyl acetate 191.93
    transcutol 1257.91
    n-heptanol 149.36
    ethylbenzene 110.59
    MIBK 160.43
    2-propoxyethanol 416.63
    tert-butanol 206.44
    MTBE 256.05
    2-butoxyethanol 260.83
    propionic acid 147.81
    o-xylene 151.72
    formic acid 95.98
    diethyl ether 303.32
    m-xylene 186.25
    p-xylene 143.06
    chlorobenzene 235.3
    dimethyl carbonate 101.37
    n-octane 14.2
    formamide 121.37
    cyclopentanone 289.24
    2-pentanone 191.22
    anisole 187.32
    cyclopentyl methyl ether 289.06
    gamma-butyrolactone 319.48
    1-methoxy-2-propanol 256.37
    pyridine 350.39
    3-pentanone 172.32
    furfural 328.22
    n-dodecane 13.95
    diethylene glycol 251.74
    diisopropyl ether 109.51
    tert-amyl alcohol 161.19
    acetylacetone 231.34
    n-hexadecane 16.45
    acetophenone 162.66
    methyl propionate 190.26
    isopentyl acetate 280.96
    trichloroethylene 531.88
    n-nonanol 136.94
    cyclohexanol 202.94
    benzyl alcohol 141.53
    2-ethylhexanol 157.53
    isooctanol 119.31
    dipropyl ether 171.65
    1,2-dichlorobenzene 211.28
    ethyl lactate 91.9
    propylene carbonate 212.81
    n-methylformamide 133.18
    2-pentanol 145.19
    n-pentane 35.74
    1-propoxy-2-propanol 279.24
    1-methoxy-2-propyl acetate 304.75
    2-(2-methoxypropoxy) propanol 240.26
    mesitylene 122.67
    ε-caprolactone 321.12
    p-cymene 95.14
    epichlorohydrin 412.75
    1,1,1-trichloroethane 281.49
    2-aminoethanol 115.69
    morpholine-4-carbaldehyde 404.54
    sulfolane 245.49
    2,2,4-trimethylpentane 22.23
    2-methyltetrahydrofuran 407.64
    n-hexyl acetate 273.6
    isooctane 20.1
    2-(2-butoxyethoxy)ethanol 354.87
    sec-butyl acetate 137.14
    tert-butyl acetate 215.55
    decalin 34.02
    glycerin 99.52
    diglyme 646.17
    acrylic acid 115.46
    isopropyl myristate 112.72
    n-butyric acid 251.21
    acetyl acetate 213.69
    di(2-ethylhexyl) phthalate 106.34
    ethyl propionate 139.83
    nitromethane 243.12
    1,2-diethoxyethane 408.05
    benzonitrile 209.88
    trioctyl phosphate 81.17
    1-bromopropane 202.41
    gamma-valerolactone 489.96
    n-decanol 98.52
    triethyl phosphate 100.66
    4-methyl-2-pentanol 110.09
    propionitrile 174.02
    vinylene carbonate 233.14
    1,1,2-trichlorotrifluoroethane 259.63
    DMS 201.87
    cumene 86.85
    2-octanol 92.43
    2-hexanone 139.29
    octyl acetate 138.13
    limonene 120.04
    1,2-dimethoxyethane 361.16
    ethyl orthosilicate 107.77
    tributyl phosphate 102.93
    diacetone alcohol 180.5
    N,N-dimethylaniline 127.78
    acrylonitrile 164.38
    aniline 226.27
    1,3-propanediol 188.36
    bromobenzene 254.48
    dibromomethane 366.79
    1,1,2,2-tetrachloroethane 443.75
    2-methyl-cyclohexyl acetate 158.35
    tetrabutyl urea 112.06
    diisobutyl methanol 96.86
    2-phenylethanol 195.62
    styrene 126.78
    dioctyl adipate 138.83
    dimethyl sulfate 112.59
    ethyl butyrate 177.4
    methyl lactate 101.7
    butyl lactate 151.61
    diethyl carbonate 129.95
    propanediol butyl ether 212.18
    triethyl orthoformate 156.17
    p-tert-butyltoluene 94.38
    methyl 4-tert-butylbenzoate 189.37
    morpholine 560.08
    tert-butylamine 161.02
    n-dodecanol 73.71
    dimethoxymethane 304.83
    ethylene carbonate 216.26
    cyrene 153.04
    2-ethoxyethyl acetate 302.59
    2-ethylhexyl acetate 236.93
    1,2,4-trichlorobenzene 232.96
    4-methylpyridine 355.29
    dibutyl ether 175.28
    2,6-dimethyl-4-heptanol 96.86
    DEF 203.27
    dimethyl isosorbide 346.46
    tetrachloroethylene 300.03
    eugenol 173.0
    triacetin 252.19
    span 80 197.86
    1,4-butanediol 67.46
    1,1-dichloroethane 291.8
    2-methyl-1-pentanol 132.64
    methyl formate 104.47
    2-methyl-1-butanol 178.42
    n-decane 25.18
    butyronitrile 213.25
    3,7-dimethyl-1-octanol 143.6
    1-chlorooctane 96.36
    1-chlorotetradecane 40.16
    n-nonane 22.08
    undecane 18.12
    tert-butylcyclohexane 30.33
    cyclooctane 31.38
    cyclopentanol 166.1
    tetrahydropyran 501.76
    tert-amyl methyl ether 166.83
    2,5,8-trioxanonane 400.81
    1-hexene 73.46
    2-isopropoxyethanol 170.31
    2,2,2-trifluoroethanol 88.21
    methyl butyrate 156.82

    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