3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene

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  • Identifiers

    Molecular formula
    C12H20O2

    SMILES
    CC1CC=CCC12COC(OC2)(C)C

  • Odor profile

    Fragrance
    Fruity 70.82%
    Woody 67.2%
    Herbal 54.01%
    Green 49.74%
    Spicy 47.06%
    Natural 32.6%
    Tropical 31.57%
    Amber 30.73%
    Fresh 30.66%
    Mint 30.21%

     

    Flavor
    Green 46.71%
    Earthy 37.04%
    Herbal 30.35%
    Fruity 28.87%
    Spicy 28.49%
    Mint 27.82%
    Woody 26.12%
    Minty 25.84%
    Wood 23.43%
    Musty 22.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.62 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    235°C

    Flash point

    • 84.21 ˚C est.

  • Synonyms

    • SCHEMBL11642654

  • Applications

    3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene — CAS number: In real-world use, this compound is commonly viewed as a fragrance ingredient and may function as a fragrance fixative in perfumery; it can also serve as an intermediate in the synthesis of specialty chemicals for cosmetics and personal care products; in household formulations such as cleaners and air fresheners, it may be used as a fragrance additive; in industrial manufacturing, it may be employed as an intermediate for the synthesis of specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.31
    methanol 119.06
    isopropanol 141.85
    water 1.87
    ethyl acetate 187.71
    n-propanol 134.83
    acetone 137.16
    n-butanol 139.92
    acetonitrile 150.79
    DMF 150.65
    toluene 240.79
    isobutanol 115.99
    1,4-dioxane 419.68
    methyl acetate 183.56
    THF 390.59
    2-butanone 166.8
    n-pentanol 102.19
    sec-butanol 142.79
    n-hexane 41.68
    ethylene glycol 29.21
    NMP 147.12
    cyclohexane 106.83
    DMSO 135.8
    n-butyl acetate 156.07
    n-octanol 116.33
    chloroform 943.09
    n-propyl acetate 116.82
    acetic acid 119.91
    dichloromethane 586.97
    cyclohexanone 252.15
    propylene glycol 68.01
    isopropyl acetate 125.43
    DMAc 203.58
    2-ethoxyethanol 129.79
    isopentanol 129.33
    n-heptane 43.23
    ethyl formate 118.33
    1,2-dichloroethane 244.51
    n-hexanol 174.18
    2-methoxyethanol 175.03
    isobutyl acetate 100.07
    tetrachloromethane 153.45
    n-pentyl acetate 119.53
    transcutol 455.1
    n-heptanol 106.14
    ethylbenzene 135.04
    MIBK 104.64
    2-propoxyethanol 212.04
    tert-butanol 177.35
    MTBE 147.24
    2-butoxyethanol 144.97
    propionic acid 124.46
    o-xylene 162.69
    formic acid 39.88
    diethyl ether 146.58
    m-xylene 162.52
    p-xylene 191.04
    chlorobenzene 229.91
    dimethyl carbonate 72.79
    n-octane 23.13
    formamide 68.61
    cyclopentanone 225.96
    2-pentanone 127.19
    anisole 177.96
    cyclopentyl methyl ether 185.39
    gamma-butyrolactone 248.88
    1-methoxy-2-propanol 173.16
    pyridine 338.18
    3-pentanone 125.45
    furfural 252.91
    n-dodecane 23.71
    diethylene glycol 129.24
    diisopropyl ether 71.09
    tert-amyl alcohol 144.83
    acetylacetone 154.41
    n-hexadecane 26.97
    acetophenone 162.42
    methyl propionate 141.39
    isopentyl acetate 159.23
    trichloroethylene 494.65
    n-nonanol 111.01
    cyclohexanol 175.3
    benzyl alcohol 147.61
    2-ethylhexanol 121.28
    isooctanol 87.09
    dipropyl ether 117.69
    1,2-dichlorobenzene 209.7
    ethyl lactate 79.91
    propylene carbonate 190.23
    n-methylformamide 81.69
    2-pentanol 111.93
    n-pentane 44.91
    1-propoxy-2-propanol 176.2
    1-methoxy-2-propyl acetate 172.77
    2-(2-methoxypropoxy) propanol 166.02
    mesitylene 114.53
    ε-caprolactone 242.48
    p-cymene 97.23
    epichlorohydrin 279.89
    1,1,1-trichloroethane 324.4
    2-aminoethanol 74.82
    morpholine-4-carbaldehyde 242.92
    sulfolane 221.11
    2,2,4-trimethylpentane 30.4
    2-methyltetrahydrofuran 274.42
    n-hexyl acetate 186.13
    isooctane 22.99
    2-(2-butoxyethoxy)ethanol 210.5
    sec-butyl acetate 103.2
    tert-butyl acetate 131.71
    decalin 57.47
    glycerin 76.34
    diglyme 325.41
    acrylic acid 102.64
    isopropyl myristate 98.3
    n-butyric acid 174.01
    acetyl acetate 151.53
    di(2-ethylhexyl) phthalate 97.72
    ethyl propionate 116.47
    nitromethane 166.36
    1,2-diethoxyethane 182.6
    benzonitrile 202.37
    trioctyl phosphate 70.0
    1-bromopropane 191.08
    gamma-valerolactone 300.2
    n-decanol 87.01
    triethyl phosphate 91.41
    4-methyl-2-pentanol 82.27
    propionitrile 149.31
    vinylene carbonate 201.59
    1,1,2-trichlorotrifluoroethane 216.59
    DMS 151.08
    cumene 103.75
    2-octanol 78.4
    2-hexanone 117.0
    octyl acetate 116.98
    limonene 120.6
    1,2-dimethoxyethane 225.81
    ethyl orthosilicate 88.57
    tributyl phosphate 83.68
    diacetone alcohol 135.6
    N,N-dimethylaniline 129.61
    acrylonitrile 152.51
    aniline 200.91
    1,3-propanediol 104.93
    bromobenzene 269.66
    dibromomethane 412.1
    1,1,2,2-tetrachloroethane 470.25
    2-methyl-cyclohexyl acetate 143.31
    tetrabutyl urea 94.25
    diisobutyl methanol 78.65
    2-phenylethanol 162.39
    styrene 157.01
    dioctyl adipate 124.94
    dimethyl sulfate 90.04
    ethyl butyrate 135.13
    methyl lactate 86.79
    butyl lactate 103.99
    diethyl carbonate 110.77
    propanediol butyl ether 142.95
    triethyl orthoformate 116.94
    p-tert-butyltoluene 97.17
    methyl 4-tert-butylbenzoate 162.41
    morpholine 369.11
    tert-butylamine 130.79
    n-dodecanol 71.98
    dimethoxymethane 144.68
    ethylene carbonate 174.82
    cyrene 134.53
    2-ethoxyethyl acetate 148.7
    2-ethylhexyl acetate 143.18
    1,2,4-trichlorobenzene 252.88
    4-methylpyridine 308.86
    dibutyl ether 122.15
    2,6-dimethyl-4-heptanol 78.65
    DEF 135.25
    dimethyl isosorbide 260.09
    tetrachloroethylene 288.48
    eugenol 145.95
    triacetin 191.28
    span 80 161.35
    1,4-butanediol 46.5
    1,1-dichloroethane 295.27
    2-methyl-1-pentanol 103.96
    methyl formate 67.0
    2-methyl-1-butanol 120.48
    n-decane 35.94
    butyronitrile 162.84
    3,7-dimethyl-1-octanol 115.03
    1-chlorooctane 97.73
    1-chlorotetradecane 50.44
    n-nonane 33.05
    undecane 28.29
    tert-butylcyclohexane 46.56
    cyclooctane 44.62
    cyclopentanol 150.95
    tetrahydropyran 356.07
    tert-amyl methyl ether 117.82
    2,5,8-trioxanonane 247.63
    1-hexene 98.84
    2-isopropoxyethanol 108.18
    2,2,2-trifluoroethanol 62.18
    methyl butyrate 132.69

    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