2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol

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  • Identifiers

    CAS number
    58437-68-6

    Molecular formula
    C15H26O2

    SMILES
    CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.13%
    Herbal 53.5%
    Sweet 49.04%
    Fresh 45.46%
    Floral 45.46%
    Earthy 41.79%
    Spicy 40.11%
    Citrus 38.71%
    Mint 37.95%
    Clean 35.62%

     

    Flavor
    Herbal 40.72%
    Woody 36.16%
    Pine 33.58%
    Camphor 33.02%
    Minty 32.57%
    Sweet 31.62%
    Mint 30.24%
    Earthy 29.85%
    Herb 25.39%
    Spicy 25.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.96 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 118.35 ˚C est.

  • Synonyms

    • 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
    • DTXSID90945219
    • RefChem:1059043
    • DTXCID001035555
    • alpha-Bisabolol oxide A
    • Tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3-ol
    • 58437-68-6
    • Bisabolol oxide I
    • alpha-Bisabolol oxide
    • (-)-alpha-Bisabolol oxide A
    • EINECS 261-249-0
    • SCHEMBL14879741
    • CHEBI:197106
    • DB-309406
    • NS00050928
    • 58437-68-6

  • Applications

    2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol is typically evaluated as a stereochemically defined intermediate and fragrance-related ingredient in specialty chemicals. In perfumery and cosmetics, it may be used as an aroma compound or fragrance intermediate and can contribute to a distinct note depending on formulation. In household products, it can serve as a fragrance additive in cleaners, detergents, and air fresheners. In industrial manufacturing, it is often used as a building block for the synthesis of specialty chemicals, including fragrance-related compounds and pharmaceutical or agrochemical intermediates. In polymers and plastics, it may act as a chiral building block or precursor for specialty monomers or additive formulations. In flavor/aroma applications, it may be evaluated for its contribution to taste and scent profiles in controlled formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.87
    methanol 311.96
    isopropanol 299.26
    water 1.56
    ethyl acetate 354.29
    n-propanol 309.55
    acetone 259.1
    n-butanol 312.3
    acetonitrile 231.19
    DMF 304.19
    toluene 397.62
    isobutanol 244.72
    1,4-dioxane 689.45
    methyl acetate 290.94
    THF 832.71
    2-butanone 305.16
    n-pentanol 187.26
    sec-butanol 230.32
    n-hexane 45.61
    ethylene glycol 38.91
    NMP 252.08
    cyclohexane 108.94
    DMSO 238.45
    n-butyl acetate 338.38
    n-octanol 190.71
    chloroform 974.48
    n-propyl acetate 200.35
    acetic acid 201.52
    dichloromethane 696.35
    cyclohexanone 430.75
    propylene glycol 75.58
    isopropyl acetate 283.0
    DMAc 366.26
    2-ethoxyethanol 253.2
    isopentanol 289.7
    n-heptane 47.05
    ethyl formate 181.17
    1,2-dichloroethane 340.29
    n-hexanol 336.71
    2-methoxyethanol 356.62
    isobutyl acetate 191.88
    tetrachloromethane 165.47
    n-pentyl acetate 239.29
    transcutol 1247.89
    n-heptanol 191.89
    ethylbenzene 179.24
    MIBK 211.84
    2-propoxyethanol 444.29
    tert-butanol 320.03
    MTBE 385.51
    2-butoxyethanol 287.29
    propionic acid 167.08
    o-xylene 228.85
    formic acid 72.47
    diethyl ether 384.45
    m-xylene 263.08
    p-xylene 230.45
    chlorobenzene 313.21
    dimethyl carbonate 115.0
    n-octane 21.08
    formamide 99.1
    cyclopentanone 378.43
    2-pentanone 270.24
    anisole 265.49
    cyclopentyl methyl ether 385.06
    gamma-butyrolactone 387.0
    1-methoxy-2-propanol 319.16
    pyridine 410.37
    3-pentanone 235.49
    furfural 370.53
    n-dodecane 18.42
    diethylene glycol 264.15
    diisopropyl ether 152.83
    tert-amyl alcohol 246.88
    acetylacetone 299.19
    n-hexadecane 21.82
    acetophenone 231.38
    methyl propionate 233.27
    isopentyl acetate 338.47
    trichloroethylene 619.38
    n-nonanol 170.73
    cyclohexanol 278.56
    benzyl alcohol 201.64
    2-ethylhexanol 204.55
    isooctanol 157.95
    dipropyl ether 230.25
    1,2-dichlorobenzene 280.23
    ethyl lactate 109.84
    propylene carbonate 264.07
    n-methylformamide 139.9
    2-pentanol 217.33
    n-pentane 57.1
    1-propoxy-2-propanol 335.88
    1-methoxy-2-propyl acetate 333.52
    2-(2-methoxypropoxy) propanol 278.62
    mesitylene 172.06
    ε-caprolactone 405.84
    p-cymene 133.63
    epichlorohydrin 462.72
    1,1,1-trichloroethane 371.19
    2-aminoethanol 115.69
    morpholine-4-carbaldehyde 449.83
    sulfolane 345.14
    2,2,4-trimethylpentane 37.25
    2-methyltetrahydrofuran 531.63
    n-hexyl acetate 339.85
    isooctane 31.73
    2-(2-butoxyethoxy)ethanol 390.01
    sec-butyl acetate 180.52
    tert-butyl acetate 288.11
    decalin 52.56
    glycerin 106.54
    diglyme 673.3
    acrylic acid 126.07
    isopropyl myristate 139.87
    n-butyric acid 300.81
    acetyl acetate 244.04
    di(2-ethylhexyl) phthalate 133.08
    ethyl propionate 176.39
    nitromethane 249.27
    1,2-diethoxyethane 424.35
    benzonitrile 281.4
    trioctyl phosphate 103.58
    1-bromopropane 296.7
    gamma-valerolactone 540.61
    n-decanol 122.94
    triethyl phosphate 121.59
    4-methyl-2-pentanol 157.07
    propionitrile 243.43
    vinylene carbonate 277.68
    1,1,2-trichlorotrifluoroethane 291.52
    DMS 232.15
    cumene 129.73
    2-octanol 131.28
    2-hexanone 196.89
    octyl acetate 168.25
    limonene 169.23
    1,2-dimethoxyethane 423.36
    ethyl orthosilicate 127.29
    tributyl phosphate 121.34
    diacetone alcohol 240.87
    N,N-dimethylaniline 190.91
    acrylonitrile 214.17
    aniline 306.37
    1,3-propanediol 198.99
    bromobenzene 354.55
    dibromomethane 473.51
    1,1,2,2-tetrachloroethane 539.67
    2-methyl-cyclohexyl acetate 204.24
    tetrabutyl urea 135.25
    diisobutyl methanol 130.13
    2-phenylethanol 254.77
    styrene 198.71
    dioctyl adipate 174.38
    dimethyl sulfate 136.73
    ethyl butyrate 225.7
    methyl lactate 122.99
    butyl lactate 184.14
    diethyl carbonate 156.21
    propanediol butyl ether 263.81
    triethyl orthoformate 180.65
    p-tert-butyltoluene 136.51
    methyl 4-tert-butylbenzoate 249.04
    morpholine 614.03
    tert-butylamine 253.34
    n-dodecanol 93.64
    dimethoxymethane 326.56
    ethylene carbonate 253.47
    cyrene 195.59
    2-ethoxyethyl acetate 332.25
    2-ethylhexyl acetate 278.03
    1,2,4-trichlorobenzene 307.17
    4-methylpyridine 458.35
    dibutyl ether 222.43
    2,6-dimethyl-4-heptanol 130.13
    DEF 259.04
    dimethyl isosorbide 402.08
    tetrachloroethylene 351.03
    eugenol 210.69
    triacetin 301.19
    span 80 244.14
    1,4-butanediol 78.27
    1,1-dichloroethane 386.72
    2-methyl-1-pentanol 189.85
    methyl formate 110.92
    2-methyl-1-butanol 253.35
    n-decane 34.34
    butyronitrile 287.31
    3,7-dimethyl-1-octanol 194.85
    1-chlorooctane 131.88
    1-chlorotetradecane 52.76
    n-nonane 31.68
    undecane 24.0
    tert-butylcyclohexane 49.93
    cyclooctane 46.14
    cyclopentanol 226.03
    tetrahydropyran 609.86
    tert-amyl methyl ether 242.93
    2,5,8-trioxanonane 425.94
    1-hexene 135.22
    2-isopropoxyethanol 209.4
    2,2,2-trifluoroethanol 82.21
    methyl butyrate 208.49

    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