1,5,9-Cyclododecatriene, 1,5,9-trimethyl-

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  • Identifiers

    CAS number
    21064-19-7

    Molecular formula
    C15H24

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Citrus 62.45%
    Woody 60.73%
    Lemon 47.86%
    Spicy 40.12%
    Terpenic 37.17%
    Dry 34.7%
    Earthy 32.79%
    Sweet 29.1%
    Herbal 28.75%
    Gassy 27.01%

     

    Flavor
    Woody 39.34%
    Wood 35.97%
    Spice 25.96%
    Spicy 22.97%
    Camphor 22.72%
    Earthy 21.63%
    Citric 19.85%
    Shrimp 19.68%
    Terpentine 19.64%
    Beet 19.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.97 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 97.63 ˚C est.

  • Synonyms

    • 1,5,9-Trimethyl-1,5,9-cyclododecatriene
    • 1,5,9-Trimethyl cyclododecatriene
    • EINECS 244-190-5
    • 1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
    • DTXSID4066674
    • RefChem:73416
    • DTXCID0036421
    • 21064-19-7
    • XOTMHDVYZZBKEJ-PEFAHGPYSA-N
    • SCHEMBL2897873
    • NS00026778
    • 21064-19-7

  • Applications

    1,5,9-Cyclododecatriene, 1,5,9-trimethyl- (CAS 21064-19-7) is used as a specialty chemical intermediate and fragrance-related ingredient. In perfumery and cosmetics, it can function as a fragrance material or odorant component and may act as a fixative to help extend fragrance longevity. It is evaluated as a building block for specialty polymers and resins, enabling incorporation into polymer backbones or serving as a precursor to functionalized derivatives. In coatings, inks and adhesives, it may serve as a reactive monomer or crosslinking partner in certain formulations. It is sometimes explored for electronics or advanced materials contexts as a chemical building block for niche applications, though such uses are less common. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.06
    methanol 7.84
    isopropanol 19.58
    water 0.01
    ethyl acetate 154.57
    n-propanol 28.11
    acetone 60.19
    n-butanol 40.94
    acetonitrile 23.88
    DMF 48.66
    toluene 369.79
    isobutanol 27.51
    1,4-dioxane 276.16
    methyl acetate 80.85
    THF 550.91
    2-butanone 114.73
    n-pentanol 39.88
    sec-butanol 40.45
    n-hexane 189.16
    ethylene glycol 1.36
    NMP 163.79
    cyclohexane 331.27
    DMSO 47.71
    n-butyl acetate 318.88
    n-octanol 61.36
    chloroform 362.33
    n-propyl acetate 126.91
    acetic acid 20.18
    dichloromethane 299.27
    cyclohexanone 254.84
    propylene glycol 4.76
    isopropyl acetate 152.23
    DMAc 110.95
    2-ethoxyethanol 36.61
    isopentanol 50.83
    n-heptane 358.29
    ethyl formate 39.04
    1,2-dichloroethane 193.33
    n-hexanol 107.19
    2-methoxyethanol 31.68
    isobutyl acetate 126.13
    tetrachloromethane 95.21
    n-pentyl acetate 165.27
    transcutol 294.02
    n-heptanol 60.12
    ethylbenzene 234.77
    MIBK 120.78
    2-propoxyethanol 96.14
    tert-butanol 49.63
    MTBE 176.06
    2-butoxyethanol 70.4
    propionic acid 25.55
    o-xylene 233.43
    formic acid 1.89
    diethyl ether 226.47
    m-xylene 240.18
    p-xylene 252.51
    chlorobenzene 207.14
    dimethyl carbonate 34.16
    n-octane 89.12
    formamide 3.9
    cyclopentanone 260.68
    2-pentanone 134.88
    anisole 226.63
    cyclopentyl methyl ether 360.41
    gamma-butyrolactone 193.12
    1-methoxy-2-propanol 43.11
    pyridine 268.22
    3-pentanone 144.69
    furfural 145.29
    n-dodecane 45.23
    diethylene glycol 24.42
    diisopropyl ether 150.9
    tert-amyl alcohol 70.05
    acetylacetone 146.49
    n-hexadecane 54.3
    acetophenone 176.77
    methyl propionate 88.42
    isopentyl acetate 318.65
    trichloroethylene 339.61
    n-nonanol 75.68
    cyclohexanol 92.97
    benzyl alcohol 72.19
    2-ethylhexanol 163.88
    isooctanol 65.01
    dipropyl ether 532.52
    1,2-dichlorobenzene 210.18
    ethyl lactate 38.93
    propylene carbonate 148.93
    n-methylformamide 11.36
    2-pentanol 48.69
    n-pentane 108.28
    1-propoxy-2-propanol 140.82
    1-methoxy-2-propyl acetate 248.32
    2-(2-methoxypropoxy) propanol 141.98
    mesitylene 189.13
    ε-caprolactone 229.79
    p-cymene 226.02
    epichlorohydrin 246.6
    1,1,1-trichloroethane 277.74
    2-aminoethanol 4.91
    morpholine-4-carbaldehyde 143.42
    sulfolane 214.44
    2,2,4-trimethylpentane 66.74
    2-methyltetrahydrofuran 444.6
    n-hexyl acetate 216.79
    isooctane 53.55
    2-(2-butoxyethoxy)ethanol 148.03
    sec-butyl acetate 150.29
    tert-butyl acetate 219.75
    decalin 171.28
    glycerin 6.0
    diglyme 292.16
    acrylic acid 17.86
    isopropyl myristate 161.83
    n-butyric acid 66.72
    acetyl acetate 114.71
    di(2-ethylhexyl) phthalate 101.08
    ethyl propionate 140.46
    nitromethane 30.2
    1,2-diethoxyethane 359.22
    benzonitrile 106.62
    trioctyl phosphate 70.03
    1-bromopropane 242.81
    gamma-valerolactone 207.82
    n-decanol 63.44
    triethyl phosphate 152.47
    4-methyl-2-pentanol 45.96
    propionitrile 46.41
    vinylene carbonate 100.74
    1,1,2-trichlorotrifluoroethane 95.57
    DMS 123.51
    cumene 169.39
    2-octanol 54.34
    2-hexanone 141.28
    octyl acetate 158.91
    limonene 350.7
    1,2-dimethoxyethane 167.88
    ethyl orthosilicate 170.0
    tributyl phosphate 91.04
    diacetone alcohol 109.49
    N,N-dimethylaniline 194.16
    acrylonitrile 35.74
    aniline 120.59
    1,3-propanediol 11.12
    bromobenzene 296.92
    dibromomethane 259.91
    1,1,2,2-tetrachloroethane 322.72
    2-methyl-cyclohexyl acetate 285.75
    tetrabutyl urea 123.99
    diisobutyl methanol 140.23
    2-phenylethanol 125.1
    styrene 234.38
    dioctyl adipate 191.5
    dimethyl sulfate 47.64
    ethyl butyrate 322.87
    methyl lactate 25.7
    butyl lactate 74.4
    diethyl carbonate 193.19
    propanediol butyl ether 39.98
    triethyl orthoformate 278.49
    p-tert-butyltoluene 229.11
    methyl 4-tert-butylbenzoate 193.99
    morpholine 236.73
    tert-butylamine 60.28
    n-dodecanol 57.25
    dimethoxymethane 80.32
    ethylene carbonate 92.58
    cyrene 105.75
    2-ethoxyethyl acetate 179.23
    2-ethylhexyl acetate 340.55
    1,2,4-trichlorobenzene 241.79
    4-methylpyridine 256.17
    dibutyl ether 300.68
    2,6-dimethyl-4-heptanol 140.23
    DEF 144.06
    dimethyl isosorbide 358.21
    tetrachloroethylene 189.88
    eugenol 119.03
    triacetin 166.0
    span 80 152.08
    1,4-butanediol 5.42
    1,1-dichloroethane 173.59
    2-methyl-1-pentanol 59.19
    methyl formate 11.97
    2-methyl-1-butanol 53.15
    n-decane 81.69
    butyronitrile 66.53
    3,7-dimethyl-1-octanol 102.76
    1-chlorooctane 162.8
    1-chlorotetradecane 84.48
    n-nonane 86.54
    undecane 57.77
    tert-butylcyclohexane 141.06
    cyclooctane 199.6
    cyclopentanol 64.83
    tetrahydropyran 467.33
    tert-amyl methyl ether 194.09
    2,5,8-trioxanonane 235.43
    1-hexene 239.87
    2-isopropoxyethanol 45.39
    2,2,2-trifluoroethanol 7.14
    methyl butyrate 149.54

    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