Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone

  • Identifiers

    CAS number
    28371-99-5

    Molecular formula
    C17H26O

    SMILES
    CC1=CCCC(=CCC=C(C(CC1)C(=O)C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • 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.
    310°C

    Flash point

    • 124.42 ˚C est.

  • Synonyms

    • 28371-99-5
    • DTXSID3051963
    • Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone
    • Ethanone, 1-(2,6,10-trimethyl-2,5,9-cyclododecatrien-1-yl)-
    • amber decatriene
    • EINECS 248-995-2
    • DTXCID6030526
    • QWAUHUKNKGMBBD-UHFFFAOYSA-N
    • NS00012997
    • methyl 2,6,10-trimethyl cyclododeca-2,5,9-trienyl ketone
    • 248-995-2
    • Trimofix
    • Fixamber
  • Applications

    Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone (CAS 28371-99-5) is primarily used as an odorant and fragrance intermediate in the perfumery sector; it may also serve as a fragrance component in cosmetics and personal care products; in household products such as air fresheners and cleaners, it can provide specific aroma notes; in industrial manufacturing it is evaluated as a specialty fragrance chemical intermediate for the synthesis of other aroma compounds; and in coatings or inks it can be added as a scented additive to impart olfactory characteristics, all 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
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
0.00016 % Category 7A
Rinse-off products applied to the hair with some hand contact
0.87 %
Category 2
Products applied to the axillae
0.13 % Category 7B
Leave-on products applied to the hair with some hand contact
0.87 %
Category 3
Products applied to the face/body using fingertips
0.4 % Category 8
Products with significant anogenital exposure
0.17 %
Category 4
Products related to fine fragrance
2.4 % Category 9
Products with body and hand exposure, primarily rinse off
2.2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
0.6 % Category 10A
Household care products with mostly hand contact
2.2 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
0.52 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
4.4 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
0.6 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.17 %
Category 5D
Baby Creams, baby Oils and baby talc
0.17 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.17 %
Category 6
Products with oral and lip exposure
0.00016 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
No restriction