2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-

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  • Identifiers

    CAS number
    71566-53-5

    Molecular formula
    C13H22O2

    SMILES
    CCC1OCC2(CC(=CCC2C)C)CO1

  • Odor profile

    Fragrance
    Herbal 66.85%
    Spicy 52.22%
    Woody 44.34%
    Green 40.16%
    Floral 36.22%
    Fresh 33.59%
    Mint 31.44%
    Natural 31.12%
    Celery 28.6%
    Amber 26.42%

     

    Flavor
    Green 46.47%
    Spicy 38.61%
    Earthy 38.22%
    Herbal 37.03%
    Woody 34.28%
    Fruity 34.19%
    Musty 29.08%
    Floral 26.69%
    Minty 25.45%
    Spice 25.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.48 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 96.61 ˚C est.

  • Synonyms

    • 3-Ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene
    • EINECS 275-638-8
    • 71566-53-5
    • 3-Ethyl-8(9),11-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene
    • 2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
    • 2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
    • 3-ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro[5.5]undec-8-ene
    • SCHEMBL3505946
    • OIUVCPKUZFAQIY-UHFFFAOYSA-N
    • NS00124066
    • 2,4-Dioxaspiro5.5undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
    • 275-638-8

  • Applications

    2,4-Dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl- (CAS 71566-53-5) is primarily used as an aroma chemical in perfumery, serving as an odorant and a building block for fragrance synthesis. It also appears as a fragrance component in cosmetics and personal-care products, contributing to the scent profile of creams, lotions, and soaps. In household products such as air fresheners and cleaners, it can function as an odorant to impart or stabilize fragrance. In industrial manufacturing, the compound may be used as an intermediate in the synthesis of fragrance materials and related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 255.84
    methanol 182.92
    isopropanol 206.12
    water 0.76
    ethyl acetate 372.27
    n-propanol 212.77
    acetone 173.84
    n-butanol 281.19
    acetonitrile 163.56
    DMF 132.74
    toluene 432.71
    isobutanol 166.92
    1,4-dioxane 671.58
    methyl acetate 216.46
    THF 533.39
    2-butanone 210.81
    n-pentanol 155.96
    sec-butanol 155.57
    n-hexane 40.05
    ethylene glycol 24.27
    NMP 110.3
    cyclohexane 131.31
    DMSO 116.95
    n-butyl acetate 369.49
    n-octanol 151.25
    chloroform 1316.34
    n-propyl acetate 207.68
    acetic acid 228.27
    dichloromethane 869.67
    cyclohexanone 374.83
    propylene glycol 40.18
    isopropyl acetate 293.56
    DMAc 163.3
    2-ethoxyethanol 199.94
    isopentanol 287.98
    n-heptane 43.13
    ethyl formate 170.05
    1,2-dichloroethane 457.45
    n-hexanol 300.41
    2-methoxyethanol 272.49
    isobutyl acetate 179.33
    tetrachloromethane 217.27
    n-pentyl acetate 217.73
    transcutol 1001.83
    n-heptanol 165.56
    ethylbenzene 182.84
    MIBK 211.41
    2-propoxyethanol 344.69
    tert-butanol 267.04
    MTBE 285.48
    2-butoxyethanol 233.35
    propionic acid 130.43
    o-xylene 230.25
    formic acid 55.97
    diethyl ether 379.98
    m-xylene 276.33
    p-xylene 233.91
    chlorobenzene 369.62
    dimethyl carbonate 82.1
    n-octane 19.96
    formamide 73.85
    cyclopentanone 267.77
    2-pentanone 240.94
    anisole 255.57
    cyclopentyl methyl ether 287.99
    gamma-butyrolactone 272.96
    1-methoxy-2-propanol 232.12
    pyridine 473.93
    3-pentanone 188.08
    furfural 325.3
    n-dodecane 19.6
    diethylene glycol 176.41
    diisopropyl ether 146.34
    tert-amyl alcohol 196.14
    acetylacetone 258.16
    n-hexadecane 23.22
    acetophenone 224.93
    methyl propionate 181.48
    isopentyl acetate 347.84
    trichloroethylene 858.96
    n-nonanol 145.81
    cyclohexanol 256.05
    benzyl alcohol 186.31
    2-ethylhexanol 200.94
    isooctanol 143.57
    dipropyl ether 198.14
    1,2-dichlorobenzene 331.38
    ethyl lactate 88.94
    propylene carbonate 222.8
    n-methylformamide 77.93
    2-pentanol 195.11
    n-pentane 58.04
    1-propoxy-2-propanol 255.91
    1-methoxy-2-propyl acetate 293.73
    2-(2-methoxypropoxy) propanol 230.67
    mesitylene 185.32
    ε-caprolactone 352.0
    p-cymene 140.88
    epichlorohydrin 446.46
    1,1,1-trichloroethane 519.21
    2-aminoethanol 75.22
    morpholine-4-carbaldehyde 271.08
    sulfolane 204.65
    2,2,4-trimethylpentane 37.22
    2-methyltetrahydrofuran 365.07
    n-hexyl acetate 285.53
    isooctane 38.01
    2-(2-butoxyethoxy)ethanol 327.72
    sec-butyl acetate 186.99
    tert-butyl acetate 274.28
    decalin 62.99
    glycerin 61.94
    diglyme 565.87
    acrylic acid 104.0
    isopropyl myristate 128.74
    n-butyric acid 330.8
    acetyl acetate 271.36
    di(2-ethylhexyl) phthalate 115.58
    ethyl propionate 187.08
    nitromethane 206.37
    1,2-diethoxyethane 410.18
    benzonitrile 281.3
    trioctyl phosphate 81.82
    1-bromopropane 342.33
    gamma-valerolactone 398.51
    n-decanol 106.52
    triethyl phosphate 114.71
    4-methyl-2-pentanol 158.5
    propionitrile 195.35
    vinylene carbonate 244.32
    1,1,2-trichlorotrifluoroethane 245.72
    DMS 190.01
    cumene 140.77
    2-octanol 107.46
    2-hexanone 186.44
    octyl acetate 150.32
    limonene 166.29
    1,2-dimethoxyethane 383.41
    ethyl orthosilicate 124.5
    tributyl phosphate 102.56
    diacetone alcohol 216.64
    N,N-dimethylaniline 164.31
    acrylonitrile 174.63
    aniline 288.31
    1,3-propanediol 168.74
    bromobenzene 444.57
    dibromomethane 658.7
    1,1,2,2-tetrachloroethane 680.56
    2-methyl-cyclohexyl acetate 192.04
    tetrabutyl urea 107.53
    diisobutyl methanol 127.43
    2-phenylethanol 249.05
    styrene 218.15
    dioctyl adipate 153.69
    dimethyl sulfate 83.62
    ethyl butyrate 247.77
    methyl lactate 81.25
    butyl lactate 141.91
    diethyl carbonate 167.59
    propanediol butyl ether 173.36
    triethyl orthoformate 186.67
    p-tert-butyltoluene 138.51
    methyl 4-tert-butylbenzoate 215.93
    morpholine 560.64
    tert-butylamine 204.39
    n-dodecanol 81.62
    dimethoxymethane 223.56
    ethylene carbonate 225.37
    cyrene 151.16
    2-ethoxyethyl acetate 283.87
    2-ethylhexyl acetate 284.24
    1,2,4-trichlorobenzene 341.5
    4-methylpyridine 433.9
    dibutyl ether 191.04
    2,6-dimethyl-4-heptanol 127.43
    DEF 209.07
    dimethyl isosorbide 313.36
    tetrachloroethylene 475.79
    eugenol 193.18
    triacetin 245.65
    span 80 195.95
    1,4-butanediol 57.06
    1,1-dichloroethane 485.97
    2-methyl-1-pentanol 172.05
    methyl formate 68.51
    2-methyl-1-butanol 223.89
    n-decane 33.1
    butyronitrile 295.19
    3,7-dimethyl-1-octanol 168.08
    1-chlorooctane 120.97
    1-chlorotetradecane 53.63
    n-nonane 29.68
    undecane 24.41
    tert-butylcyclohexane 52.36
    cyclooctane 53.38
    cyclopentanol 152.44
    tetrahydropyran 577.47
    tert-amyl methyl ether 193.95
    2,5,8-trioxanonane 356.24
    1-hexene 120.27
    2-isopropoxyethanol 173.94
    2,2,2-trifluoroethanol 77.26
    methyl butyrate 215.93

    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