2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C15H24

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.52%
    Citrus 62.92%
    Spicy 56.6%
    Lemon 48.43%
    Terpenic 47.54%
    Herbal 47.41%
    Dry 37.93%
    Earthy 37.03%
    Fresh 35.24%
    Pine 34.42%

     

    Flavor
    Woody 61.71%
    Wood 45.58%
    Spice 32.57%
    Spicy 26.93%
    Camphor 26.88%
    Herbal 26.62%
    Earthy 24.44%
    Dry 24.28%
    Citrus 24.09%
    Turpentine 22.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.75 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 104.94 ˚C est.

  • Synonyms

    • (1Z,4Z,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
    • 2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene
    • RefChem:1060191
    • Humulene-alpha
    • SCHEMBL4211642
    • AKOS025295621
    • NCGC00178590-01
    • (1Z,4Z,8Z)-2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene
    • 6753-98-6

  • Applications

    2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene is a macrocyclic hydrocarbon with multiple double bonds, commonly evaluated for fragrance-related applications and as an intermediate for scent systems. In practice, its use cases may include: as an odorant or fragrance ingredient in perfumery and cosmetics; as a fragrance additive in household products and personal care items; as an intermediate in industrial manufacturing for the synthesis of specialty aroma chemicals; and as a component in coatings and inks to impart or adjust fragrance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.06
    methanol 13.03
    isopropanol 40.12
    water 0.02
    ethyl acetate 108.43
    n-propanol 45.33
    acetone 57.96
    n-butanol 65.29
    acetonitrile 24.57
    DMF 41.3
    toluene 178.91
    isobutanol 41.64
    1,4-dioxane 177.47
    methyl acetate 63.52
    THF 330.91
    2-butanone 104.83
    n-pentanol 54.69
    sec-butanol 60.89
    n-hexane 114.38
    ethylene glycol 2.92
    NMP 66.93
    cyclohexane 143.77
    DMSO 46.58
    n-butyl acetate 256.5
    n-octanol 110.16
    chloroform 173.49
    n-propyl acetate 87.82
    acetic acid 16.34
    dichloromethane 134.41
    cyclohexanone 158.07
    propylene glycol 11.46
    isopropyl acetate 104.83
    DMAc 81.67
    2-ethoxyethanol 46.38
    isopentanol 73.04
    n-heptane 259.02
    ethyl formate 30.8
    1,2-dichloroethane 88.79
    n-hexanol 172.48
    2-methoxyethanol 48.85
    isobutyl acetate 95.3
    tetrachloromethane 42.16
    n-pentyl acetate 120.59
    transcutol 306.43
    n-heptanol 96.14
    ethylbenzene 146.88
    MIBK 108.38
    2-propoxyethanol 135.81
    tert-butanol 73.66
    MTBE 160.25
    2-butoxyethanol 92.58
    propionic acid 22.11
    o-xylene 126.54
    formic acid 1.89
    diethyl ether 150.67
    m-xylene 152.67
    p-xylene 158.84
    chlorobenzene 104.95
    dimethyl carbonate 22.52
    n-octane 70.37
    formamide 3.56
    cyclopentanone 142.27
    2-pentanone 109.85
    anisole 157.16
    cyclopentyl methyl ether 204.42
    gamma-butyrolactone 91.07
    1-methoxy-2-propanol 68.89
    pyridine 140.32
    3-pentanone 97.28
    furfural 74.58
    n-dodecane 50.37
    diethylene glycol 41.35
    diisopropyl ether 103.87
    tert-amyl alcohol 85.88
    acetylacetone 96.62
    n-hexadecane 57.1
    acetophenone 119.24
    methyl propionate 67.88
    isopentyl acetate 238.46
    trichloroethylene 146.52
    n-nonanol 114.98
    cyclohexanol 88.52
    benzyl alcohol 63.63
    2-ethylhexanol 207.88
    isooctanol 92.59
    dipropyl ether 353.27
    1,2-dichlorobenzene 97.38
    ethyl lactate 35.09
    propylene carbonate 74.67
    n-methylformamide 10.76
    2-pentanol 68.53
    n-pentane 78.43
    1-propoxy-2-propanol 175.94
    1-methoxy-2-propyl acetate 198.9
    2-(2-methoxypropoxy) propanol 163.16
    mesitylene 117.57
    ε-caprolactone 132.35
    p-cymene 169.4
    epichlorohydrin 126.73
    1,1,1-trichloroethane 132.55
    2-aminoethanol 9.7
    morpholine-4-carbaldehyde 97.26
    sulfolane 101.99
    2,2,4-trimethylpentane 50.1
    2-methyltetrahydrofuran 261.37
    n-hexyl acetate 198.3
    isooctane 48.54
    2-(2-butoxyethoxy)ethanol 175.1
    sec-butyl acetate 101.08
    tert-butyl acetate 148.7
    decalin 92.6
    glycerin 13.39
    diglyme 259.4
    acrylic acid 13.07
    isopropyl myristate 140.55
    n-butyric acid 52.6
    acetyl acetate 64.52
    di(2-ethylhexyl) phthalate 98.45
    ethyl propionate 89.33
    nitromethane 23.5
    1,2-diethoxyethane 257.2
    benzonitrile 74.95
    trioctyl phosphate 70.39
    1-bromopropane 157.83
    gamma-valerolactone 129.04
    n-decanol 98.2
    triethyl phosphate 92.72
    4-methyl-2-pentanol 65.07
    propionitrile 44.72
    vinylene carbonate 53.8
    1,1,2-trichlorotrifluoroethane 53.47
    DMS 91.06
    cumene 119.64
    2-octanol 78.48
    2-hexanone 112.36
    octyl acetate 142.12
    limonene 238.47
    1,2-dimethoxyethane 136.99
    ethyl orthosilicate 101.95
    tributyl phosphate 81.87
    diacetone alcohol 105.73
    N,N-dimethylaniline 132.63
    acrylonitrile 30.29
    aniline 77.17
    1,3-propanediol 21.89
    bromobenzene 147.59
    dibromomethane 129.73
    1,1,2,2-tetrachloroethane 143.45
    2-methyl-cyclohexyl acetate 190.16
    tetrabutyl urea 106.12
    diisobutyl methanol 144.33
    2-phenylethanol 121.19
    styrene 142.72
    dioctyl adipate 152.59
    dimethyl sulfate 27.58
    ethyl butyrate 188.19
    methyl lactate 25.28
    butyl lactate 71.12
    diethyl carbonate 106.47
    propanediol butyl ether 73.73
    triethyl orthoformate 157.95
    p-tert-butyltoluene 171.14
    methyl 4-tert-butylbenzoate 154.24
    morpholine 169.8
    tert-butylamine 72.38
    n-dodecanol 86.52
    dimethoxymethane 70.09
    ethylene carbonate 52.52
    cyrene 85.69
    2-ethoxyethyl acetate 134.36
    2-ethylhexyl acetate 247.64
    1,2,4-trichlorobenzene 115.93
    4-methylpyridine 144.1
    dibutyl ether 240.34
    2,6-dimethyl-4-heptanol 144.33
    DEF 88.42
    dimethyl isosorbide 277.11
    tetrachloroethylene 76.28
    eugenol 103.99
    triacetin 137.93
    span 80 151.88
    1,4-butanediol 10.73
    1,1-dichloroethane 97.19
    2-methyl-1-pentanol 73.4
    methyl formate 9.43
    2-methyl-1-butanol 67.4
    n-decane 80.24
    butyronitrile 68.73
    3,7-dimethyl-1-octanol 146.47
    1-chlorooctane 147.2
    1-chlorotetradecane 82.18
    n-nonane 83.68
    undecane 61.52
    tert-butylcyclohexane 91.66
    cyclooctane 94.9
    cyclopentanol 61.26
    tetrahydropyran 284.26
    tert-amyl methyl ether 160.7
    2,5,8-trioxanonane 223.38
    1-hexene 173.81
    2-isopropoxyethanol 58.2
    2,2,2-trifluoroethanol 4.94
    methyl butyrate 96.13

    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