(2E,6E,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-triene-1-peroxol

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  • Identifiers

    CAS number
    228565-88-6

    Molecular formula
    C15H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.46%
    Herbal 51.35%
    Spicy 51.22%
    Mint 35.42%
    Citrus 32.93%
    Dry 31.39%
    Fresh 29.77%
    Natural 29.76%
    Tobacco 29.1%
    Floral 28.19%

     

    Flavor
    Woody 52.22%
    Herbal 43.83%
    Spicy 40.18%
    Fruity 34.01%
    Spice 33.64%
    Mint 31.89%
    Minty 30.64%
    Floral 30.29%
    Herb 30.16%
    Wood 28.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.82 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point

    • 129.44 ˚C est.

  • Synonyms

    • DTXSID501143511
    • (2E,6E,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-triene-1-peroxol
    • Hydroperoxide, (2E,6E,10E)-2,6,9,9-tetramethyl-2,6,10-cycloundecatrien-1-yl
    • 228565-88-6
    • 228565-88-6

  • Applications

    (2E,6E,10E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-triene-1-peroxol, CAS 228565-88-6, is an organic peroxide that functions as a radical initiator for polymerization and curing in industrial manufacturing. In coatings, inks, adhesives, and plastics, it serves as a radical initiator and, where appropriate, as a crosslinking agent to promote cure and network formation. It can also act as a specialty intermediate in the synthesis of advanced polymers and resin systems. Use and handling are formulation- and regulation-dependent, requiring adherence to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.11
    methanol 78.32
    isopropanol 161.27
    water 0.08
    ethyl acetate 320.98
    n-propanol 175.95
    acetone 237.33
    n-butanol 182.69
    acetonitrile 126.52
    DMF 250.9
    toluene 275.61
    isobutanol 145.47
    1,4-dioxane 425.76
    methyl acetate 279.45
    THF 653.95
    2-butanone 408.75
    n-pentanol 142.41
    sec-butanol 189.13
    n-hexane 26.8
    ethylene glycol 16.88
    NMP 244.17
    cyclohexane 56.59
    DMSO 172.84
    n-butyl acetate 303.66
    n-octanol 121.45
    chloroform 663.34
    n-propyl acetate 223.99
    acetic acid 81.98
    dichloromethane 517.47
    cyclohexanone 431.77
    propylene glycol 63.44
    isopropyl acetate 210.83
    DMAc 307.45
    2-ethoxyethanol 171.14
    isopentanol 192.56
    n-heptane 31.31
    ethyl formate 153.88
    1,2-dichloroethane 310.69
    n-hexanol 220.85
    2-methoxyethanol 224.63
    isobutyl acetate 174.34
    tetrachloromethane 73.54
    n-pentyl acetate 177.77
    transcutol 753.09
    n-heptanol 116.62
    ethylbenzene 201.75
    MIBK 206.27
    2-propoxyethanol 289.68
    tert-butanol 234.03
    MTBE 236.7
    2-butoxyethanol 188.78
    propionic acid 102.62
    o-xylene 181.5
    formic acid 17.84
    diethyl ether 198.05
    m-xylene 222.14
    p-xylene 232.66
    chlorobenzene 259.11
    dimethyl carbonate 78.46
    n-octane 16.04
    formamide 40.92
    cyclopentanone 440.13
    2-pentanone 305.0
    anisole 297.59
    cyclopentyl methyl ether 283.2
    gamma-butyrolactone 352.69
    1-methoxy-2-propanol 252.42
    pyridine 372.15
    3-pentanone 237.02
    furfural 326.03
    n-dodecane 14.71
    diethylene glycol 139.95
    diisopropyl ether 84.01
    tert-amyl alcohol 210.42
    acetylacetone 276.43
    n-hexadecane 17.21
    acetophenone 260.1
    methyl propionate 227.26
    isopentyl acetate 303.8
    trichloroethylene 634.07
    n-nonanol 115.43
    cyclohexanol 191.36
    benzyl alcohol 199.37
    2-ethylhexanol 180.51
    isooctanol 108.45
    dipropyl ether 173.61
    1,2-dichlorobenzene 224.94
    ethyl lactate 114.58
    propylene carbonate 255.02
    n-methylformamide 91.4
    2-pentanol 159.45
    n-pentane 24.97
    1-propoxy-2-propanol 289.74
    1-methoxy-2-propyl acetate 301.81
    2-(2-methoxypropoxy) propanol 240.78
    mesitylene 135.25
    ε-caprolactone 362.56
    p-cymene 136.06
    epichlorohydrin 487.84
    1,1,1-trichloroethane 343.01
    2-aminoethanol 57.52
    morpholine-4-carbaldehyde 323.48
    sulfolane 300.19
    2,2,4-trimethylpentane 22.78
    2-methyltetrahydrofuran 456.56
    n-hexyl acetate 262.39
    isooctane 21.47
    2-(2-butoxyethoxy)ethanol 295.01
    sec-butyl acetate 197.72
    tert-butyl acetate 236.83
    decalin 46.03
    glycerin 66.47
    diglyme 447.07
    acrylic acid 74.57
    isopropyl myristate 131.2
    n-butyric acid 200.12
    acetyl acetate 167.56
    di(2-ethylhexyl) phthalate 119.15
    ethyl propionate 203.94
    nitromethane 171.99
    1,2-diethoxyethane 288.47
    benzonitrile 237.83
    trioctyl phosphate 81.63
    1-bromopropane 243.47
    gamma-valerolactone 488.52
    n-decanol 96.62
    triethyl phosphate 112.38
    4-methyl-2-pentanol 117.91
    propionitrile 162.02
    vinylene carbonate 214.49
    1,1,2-trichlorotrifluoroethane 232.97
    DMS 186.73
    cumene 138.06
    2-octanol 89.96
    2-hexanone 244.21
    octyl acetate 152.6
    limonene 170.35
    1,2-dimethoxyethane 310.78
    ethyl orthosilicate 110.57
    tributyl phosphate 99.33
    diacetone alcohol 260.24
    N,N-dimethylaniline 194.64
    acrylonitrile 171.63
    aniline 215.15
    1,3-propanediol 105.6
    bromobenzene 288.43
    dibromomethane 362.88
    1,1,2,2-tetrachloroethane 515.01
    2-methyl-cyclohexyl acetate 220.78
    tetrabutyl urea 125.37
    diisobutyl methanol 117.98
    2-phenylethanol 231.77
    styrene 210.41
    dioctyl adipate 180.9
    dimethyl sulfate 101.22
    ethyl butyrate 237.58
    methyl lactate 101.27
    butyl lactate 156.53
    diethyl carbonate 151.29
    propanediol butyl ether 210.77
    triethyl orthoformate 158.32
    p-tert-butyltoluene 133.64
    methyl 4-tert-butylbenzoate 227.66
    morpholine 471.08
    tert-butylamine 149.87
    n-dodecanol 79.52
    dimethoxymethane 205.31
    ethylene carbonate 174.83
    cyrene 200.87
    2-ethoxyethyl acetate 239.72
    2-ethylhexyl acetate 250.39
    1,2,4-trichlorobenzene 266.33
    4-methylpyridine 416.43
    dibutyl ether 154.16
    2,6-dimethyl-4-heptanol 117.98
    DEF 243.79
    dimethyl isosorbide 407.41
    tetrachloroethylene 244.0
    eugenol 202.23
    triacetin 238.0
    span 80 215.92
    1,4-butanediol 46.62
    1,1-dichloroethane 368.02
    2-methyl-1-pentanol 166.16
    methyl formate 79.98
    2-methyl-1-butanol 174.84
    n-decane 23.96
    butyronitrile 214.82
    3,7-dimethyl-1-octanol 153.47
    1-chlorooctane 98.74
    1-chlorotetradecane 45.9
    n-nonane 21.51
    undecane 18.2
    tert-butylcyclohexane 44.09
    cyclooctane 24.29
    cyclopentanol 175.26
    tetrahydropyran 462.72
    tert-amyl methyl ether 192.81
    2,5,8-trioxanonane 336.67
    1-hexene 120.68
    2-isopropoxyethanol 161.7
    2,2,2-trifluoroethanol 28.47
    methyl butyrate 256.7

    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