2-Methoxy-2,6,6,9-tetramethylbicyclo[3.3.1]nonane

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  • Identifiers

    CAS number
    84029-91-4

    Molecular formula
    C14H26O

    SMILES
    CC1C2CCC(C1CCC2(C)C)(C)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 84.28%
    Amber 52.68%
    Cedar 51.17%
    Camphoreous 50.82%
    Dry 49.93%
    Pine 48.83%
    Earthy 47.45%
    Spicy 45.01%
    Herbal 42.15%
    Green 38.63%

     

    Flavor
    Sweet 73.96%
    Woody 57.22%
    Pine 51.37%
    Camphor 48.37%
    Herbal 44.99%
    Dry 40.83%
    Earthy 36.7%
    Balsam 34.35%
    Green 30.21%
    Fresh 29.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.84 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 100.73 ˚C est.

  • Synonyms

    • 84029-91-4
    • EINECS 281-762-3
    • 2-METHOXY-2,6,6,9-TETRAMETHYLBICYCLO[3.3.1]NONANE
    • 2-Methoxy-2,6,6,9-tetramethylbicyclo(3.3.1)nonane
    • DTXSID801004308
    • RefChem:87805
    • DTXCID501431211
    • 281-762-3
    • HVCNHMFKCIERDI-UHFFFAOYSA-N
    • NS00060494
    • 84029-91-4

  • Applications

    2-Methoxy-2,6,6,9-tetramethylbicyclo[3.3.1]nonane (CAS 84029-91-4) is viewed as a specialty intermediate and building block in organic synthesis, often used to construct the bicyclic framework for further functionalization. In perfumery and cosmetics, it may serve as a fragrance ingredient or odorant and can function as a fixative to help stabilize and extend aroma. It may also be evaluated for use in household products and personal care formulations as a scent additive or formulation aid that influences odor profiles and product longevity. In industrial manufacturing and coatings, it can appear as a specialty additive or precursor within polymer and coating formulations, or as a component in inks and surface treatments. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 994.69
    methanol 967.96
    isopropanol 779.7
    water 5.77
    ethyl acetate 1607.24
    n-propanol 998.16
    acetone 1240.72
    n-butanol 923.45
    acetonitrile 1507.39
    DMF 1003.72
    toluene 1824.07
    isobutanol 814.71
    1,4-dioxane 3172.67
    methyl acetate 1292.0
    THF 3451.89
    2-butanone 1103.28
    n-pentanol 376.35
    sec-butanol 653.21
    n-hexane 263.61
    ethylene glycol 139.1
    NMP 1120.36
    cyclohexane 1060.6
    DMSO 547.17
    n-butyl acetate 1493.01
    n-octanol 412.53
    chloroform 4042.18
    n-propyl acetate 629.47
    acetic acid 864.44
    dichloromethane 3178.75
    cyclohexanone 2221.66
    propylene glycol 194.1
    isopropyl acetate 1112.5
    DMAc 763.49
    2-ethoxyethanol 452.32
    isopentanol 824.04
    n-heptane 350.67
    ethyl formate 913.77
    1,2-dichloroethane 1897.58
    n-hexanol 1214.71
    2-methoxyethanol 1044.1
    isobutyl acetate 519.98
    tetrachloromethane 1091.99
    n-pentyl acetate 777.2
    transcutol 2173.4
    n-heptanol 503.3
    ethylbenzene 549.29
    MIBK 671.57
    2-propoxyethanol 1270.93
    tert-butanol 889.63
    MTBE 1259.97
    2-butoxyethanol 638.9
    propionic acid 782.36
    o-xylene 878.44
    formic acid 292.83
    diethyl ether 1678.07
    m-xylene 1072.44
    p-xylene 710.06
    chlorobenzene 1720.66
    dimethyl carbonate 442.91
    n-octane 103.28
    formamide 402.4
    cyclopentanone 1873.85
    2-pentanone 988.3
    anisole 719.0
    cyclopentyl methyl ether 1756.02
    gamma-butyrolactone 2176.72
    1-methoxy-2-propanol 730.44
    pyridine 2119.25
    3-pentanone 882.98
    furfural 1622.19
    n-dodecane 62.38
    diethylene glycol 626.61
    diisopropyl ether 629.3
    tert-amyl alcohol 649.39
    acetylacetone 1044.09
    n-hexadecane 74.35
    acetophenone 562.18
    methyl propionate 1008.05
    isopentyl acetate 1290.25
    trichloroethylene 3060.2
    n-nonanol 357.96
    cyclohexanol 1300.29
    benzyl alcohol 474.58
    2-ethylhexanol 718.71
    isooctanol 391.9
    dipropyl ether 935.91
    1,2-dichlorobenzene 1294.33
    ethyl lactate 233.61
    propylene carbonate 1294.99
    n-methylformamide 768.98
    2-pentanol 588.28
    n-pentane 402.68
    1-propoxy-2-propanol 940.08
    1-methoxy-2-propyl acetate 1160.0
    2-(2-methoxypropoxy) propanol 470.44
    mesitylene 679.14
    ε-caprolactone 1899.58
    p-cymene 474.82
    epichlorohydrin 2189.1
    1,1,1-trichloroethane 2198.73
    2-aminoethanol 347.25
    morpholine-4-carbaldehyde 1468.19
    sulfolane 1312.61
    2,2,4-trimethylpentane 173.97
    2-methyltetrahydrofuran 2631.75
    n-hexyl acetate 937.58
    isooctane 149.51
    2-(2-butoxyethoxy)ethanol 701.11
    sec-butyl acetate 523.84
    tert-butyl acetate 994.18
    decalin 261.86
    glycerin 257.86
    diglyme 1428.24
    acrylic acid 580.74
    isopropyl myristate 335.23
    n-butyric acid 1205.54
    acetyl acetate 1110.5
    di(2-ethylhexyl) phthalate 264.72
    ethyl propionate 625.1
    nitromethane 1364.29
    1,2-diethoxyethane 1138.89
    benzonitrile 1038.09
    trioctyl phosphate 217.68
    1-bromopropane 1414.75
    gamma-valerolactone 2442.75
    n-decanol 243.17
    triethyl phosphate 332.18
    4-methyl-2-pentanol 414.33
    propionitrile 1342.15
    vinylene carbonate 1263.18
    1,1,2-trichlorotrifluoroethane 1011.54
    DMS 706.04
    cumene 361.7
    2-octanol 308.63
    2-hexanone 530.37
    octyl acetate 399.73
    limonene 709.36
    1,2-dimethoxyethane 1075.22
    ethyl orthosilicate 358.06
    tributyl phosphate 283.91
    diacetone alcohol 618.84
    N,N-dimethylaniline 434.26
    acrylonitrile 1233.18
    aniline 1259.14
    1,3-propanediol 595.86
    bromobenzene 1967.3
    dibromomethane 2225.71
    1,1,2,2-tetrachloroethane 2259.88
    2-methyl-cyclohexyl acetate 604.73
    tetrabutyl urea 299.68
    diisobutyl methanol 391.04
    2-phenylethanol 724.81
    styrene 651.1
    dioctyl adipate 381.16
    dimethyl sulfate 456.97
    ethyl butyrate 847.2
    methyl lactate 317.29
    butyl lactate 425.63
    diethyl carbonate 540.91
    propanediol butyl ether 428.95
    triethyl orthoformate 631.43
    p-tert-butyltoluene 458.87
    methyl 4-tert-butylbenzoate 531.68
    morpholine 2852.23
    tert-butylamine 837.28
    n-dodecanol 180.02
    dimethoxymethane 1052.61
    ethylene carbonate 1241.25
    cyrene 351.37
    2-ethoxyethyl acetate 954.53
    2-ethylhexyl acetate 1067.64
    1,2,4-trichlorobenzene 1368.09
    4-methylpyridine 2039.12
    dibutyl ether 644.0
    2,6-dimethyl-4-heptanol 391.04
    DEF 973.7
    dimethyl isosorbide 922.79
    tetrachloroethylene 1761.36
    eugenol 429.15
    triacetin 629.97
    span 80 443.29
    1,4-butanediol 150.99
    1,1-dichloroethane 2006.02
    2-methyl-1-pentanol 383.16
    methyl formate 650.92
    2-methyl-1-butanol 758.11
    n-decane 123.23
    butyronitrile 1355.34
    3,7-dimethyl-1-octanol 424.94
    1-chlorooctane 407.03
    1-chlorotetradecane 144.27
    n-nonane 130.87
    undecane 82.63
    tert-butylcyclohexane 204.18
    cyclooctane 373.8
    cyclopentanol 1072.11
    tetrahydropyran 3310.54
    tert-amyl methyl ether 812.75
    2,5,8-trioxanonane 745.65
    1-hexene 512.28
    2-isopropoxyethanol 358.34
    2,2,2-trifluoroethanol 433.94
    methyl butyrate 715.3

    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