Methyl-2,6,10-trimethyl-2,5,9-cyclododecatrien-1-yl ketone

  • Identifiers

    Molecular formula
    C17H26O

    SMILES
    C/C/1=C/CC/C(=C\C/C=C(\C(CC1)C(=O)C)/C)/C

  • Odor profile

    Fragrance
    Woody 64.21%
    Herbal 55.24%
    Spicy 45.07%
    Citrus 42.81%
    Mint 41.1%
    Tobacco 40.25%
    Floral 38.61%
    Dry 34.56%
    Camphoreous 33.05%
    Lemon 32.99%

     

    Flavor
    Fruity 48.18%
    Woody 32.84%
    Minty 32.71%
    Herbal 29.22%
    Spicy 29.1%
    Mint 28.76%
    Spice 27.07%
    Camphor 24.12%
    Herb 22.36%
    Fresh 22.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.8 (weak base)

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 124.42 ˚C est.

  • Synonyms

    • EINECS 248-995-2
    • SCHEMBL3504653
    • QWAUHUKNKGMBBD-GDAKKANCSA-N
    • methyl-2,6,10-trimethyl-2,5,9-cyclododecatrien-1-yl ketone
  • Applications

    Methyl-2,6,10-trimethyl-2,5,9-cyclododecatrien-1-yl ketone is primarily used as a fragrance-related chemical. In perfumery, it functions as an odorant and fragrance intermediate, contributing specific floral/green notes. It is also used in cosmetics/personal care and in household products as a fragrance ingredient. In industrial manufacturing, it serves as a specialty intermediate for the synthesis of aroma compounds and fragrance formulations. The compound may also be evaluated for use in the flavor industry as an aroma constituent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 304.16
    methanol 231.49
    isopropanol 260.89
    water 0.11
    ethyl acetate 412.97
    n-propanol 288.92
    acetone 277.12
    n-butanol 324.62
    acetonitrile 192.96
    DMF 276.16
    toluene 578.6
    isobutanol 224.86
    1,4-dioxane 962.01
    methyl acetate 284.52
    THF 1064.26
    2-butanone 356.46
    n-pentanol 241.32
    sec-butanol 284.33
    n-hexane 133.05
    ethylene glycol 17.73
    NMP 361.71
    cyclohexane 233.5
    DMSO 195.65
    n-butyl acetate 400.03
    n-octanol 147.9
    chloroform 1153.41
    n-propyl acetate 260.43
    acetic acid 148.43
    dichloromethane 822.97
    cyclohexanone 564.94
    propylene glycol 60.65
    isopropyl acetate 309.0
    DMAc 386.39
    2-ethoxyethanol 227.89
    isopentanol 284.38
    n-heptane 83.69
    ethyl formate 163.58
    1,2-dichloroethane 490.35
    n-hexanol 360.65
    2-methoxyethanol 285.37
    isobutyl acetate 215.46
    tetrachloromethane 170.74
    n-pentyl acetate 243.87
    transcutol 1393.86
    n-heptanol 167.1
    ethylbenzene 285.45
    MIBK 259.89
    2-propoxyethanol 402.36
    tert-butanol 351.44
    MTBE 466.52
    2-butoxyethanol 260.71
    propionic acid 145.9
    o-xylene 294.18
    formic acid 29.61
    diethyl ether 588.22
    m-xylene 359.53
    p-xylene 311.34
    chlorobenzene 425.27
    dimethyl carbonate 92.2
    n-octane 29.56
    formamide 50.44
    cyclopentanone 482.24
    2-pentanone 336.43
    anisole 379.17
    cyclopentyl methyl ether 516.94
    gamma-butyrolactone 429.05
    1-methoxy-2-propanol 280.6
    pyridine 667.06
    3-pentanone 276.75
    furfural 396.78
    n-dodecane 19.74
    diethylene glycol 172.97
    diisopropyl ether 188.21
    tert-amyl alcohol 314.4
    acetylacetone 297.8
    n-hexadecane 23.27
    acetophenone 298.53
    methyl propionate 242.89
    isopentyl acetate 382.93
    trichloroethylene 837.85
    n-nonanol 144.99
    cyclohexanol 348.22
    benzyl alcohol 261.53
    2-ethylhexanol 235.92
    isooctanol 145.81
    dipropyl ether 331.26
    1,2-dichlorobenzene 357.79
    ethyl lactate 108.56
    propylene carbonate 290.28
    n-methylformamide 96.83
    2-pentanol 249.76
    n-pentane 106.03
    1-propoxy-2-propanol 371.04
    1-methoxy-2-propyl acetate 406.08
    2-(2-methoxypropoxy) propanol 314.61
    mesitylene 225.11
    ε-caprolactone 469.74
    p-cymene 166.24
    epichlorohydrin 619.52
    1,1,1-trichloroethane 491.07
    2-aminoethanol 74.97
    morpholine-4-carbaldehyde 456.99
    sulfolane 365.61
    2,2,4-trimethylpentane 54.37
    2-methyltetrahydrofuran 835.02
    n-hexyl acetate 346.11
    isooctane 42.99
    2-(2-butoxyethoxy)ethanol 415.4
    sec-butyl acetate 238.07
    tert-butyl acetate 325.01
    decalin 101.43
    glycerin 71.84
    diglyme 666.77
    acrylic acid 101.62
    isopropyl myristate 149.91
    n-butyric acid 286.04
    acetyl acetate 238.86
    di(2-ethylhexyl) phthalate 146.81
    ethyl propionate 227.12
    nitromethane 188.48
    1,2-diethoxyethane 608.74
    benzonitrile 320.1
    trioctyl phosphate 94.84
    1-bromopropane 441.9
    gamma-valerolactone 610.04
    n-decanol 108.03
    triethyl phosphate 149.22
    4-methyl-2-pentanol 163.49
    propionitrile 242.4
    vinylene carbonate 261.76
    1,1,2-trichlorotrifluoroethane 305.79
    DMS 246.89
    cumene 188.64
    2-octanol 116.85
    2-hexanone 270.99
    octyl acetate 183.57
    limonene 233.16
    1,2-dimethoxyethane 484.65
    ethyl orthosilicate 159.21
    tributyl phosphate 120.42
    diacetone alcohol 270.74
    N,N-dimethylaniline 268.31
    acrylonitrile 194.09
    aniline 400.24
    1,3-propanediol 133.26
    bromobenzene 492.28
    dibromomethane 622.56
    1,1,2,2-tetrachloroethane 717.03
    2-methyl-cyclohexyl acetate 273.34
    tetrabutyl urea 150.42
    diisobutyl methanol 151.61
    2-phenylethanol 313.83
    styrene 325.48
    dioctyl adipate 202.05
    dimethyl sulfate 111.62
    ethyl butyrate 293.51
    methyl lactate 101.58
    butyl lactate 178.32
    diethyl carbonate 191.47
    propanediol butyl ether 215.4
    triethyl orthoformate 237.68
    p-tert-butyltoluene 165.48
    methyl 4-tert-butylbenzoate 258.26
    morpholine 1007.78
    tert-butylamine 278.67
    n-dodecanol 83.96
    dimethoxymethane 296.86
    ethylene carbonate 236.42
    cyrene 237.4
    2-ethoxyethyl acetate 355.1
    2-ethylhexyl acetate 323.55
    1,2,4-trichlorobenzene 412.8
    4-methylpyridine 691.17
    dibutyl ether 254.38
    2,6-dimethyl-4-heptanol 151.61
    DEF 334.6
    dimethyl isosorbide 488.2
    tetrachloroethylene 453.27
    eugenol 236.81
    triacetin 310.87
    span 80 280.9
    1,4-butanediol 57.31
    1,1-dichloroethane 505.88
    2-methyl-1-pentanol 263.38
    methyl formate 71.29
    2-methyl-1-butanol 278.64
    n-decane 36.15
    butyronitrile 307.51
    3,7-dimethyl-1-octanol 178.05
    1-chlorooctane 136.18
    1-chlorotetradecane 56.57
    n-nonane 35.52
    undecane 25.34
    tert-butylcyclohexane 87.61
    cyclooctane 83.45
    cyclopentanol 248.47
    tetrahydropyran 1083.32
    tert-amyl methyl ether 337.95
    2,5,8-trioxanonane 456.82
    1-hexene 310.28
    2-isopropoxyethanol 192.05
    2,2,2-trifluoroethanol 45.03
    methyl butyrate 270.59

    Scent© AI

1 of 4
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