2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one

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  • Identifiers

    CAS number
    80722-28-7

    Molecular formula
    C13H18O2

    SMILES
    CC1=CCC2(O1)C(=CC(=O)CC2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.77%
    Tobacco 52.44%
    Mint 47.38%
    Floral 45.04%
    Fruity 42.01%
    Sweet 41.64%
    Camphoreous 39.46%
    Tea 35.82%
    Herbal 31.39%
    Hay 30.54%

     

    Flavor
    Fruity 72.09%
    Woody 65.36%
    Tobacco 60.59%
    Sweet 54.25%
    Minty 38.7%
    Musty 38.24%
    Herbal 36.97%
    Green 35.16%
    Spicy 34.46%
    Camphor 33.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.95 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 106.66 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 6AQT87PG7Q
    • 80722-28-7
    • EINECS 279-534-3
    • 2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one
    • 2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DECA-2,6-DIEN-8-ONE
    • 2,6,10,10-Tetramethyl-1-oxaspiro(4.5)deca-2,6-dien-8-one
    • FEMA NO. 4662
    • 1-OXASPIRO(4.5)DECA-2,6-DIEN-8-ONE, 2,6,10,10-TETRAMETHYL-
    • RefChem:445126
    • (+-)-8,9-DEHYDROTHEASPIRONE
    • (+-)-2,6,10,10-TETRAMETHYL-1-OXASPIRO(4,5)DECA-2,6-DIEN-8-ONE
    • 279-534-3
    • UNII-6AQT87PG7Q
    • xi-8,9-Dehydrotheaspirone
    • (R)-8,9-Dehydrotheaspirone
    • SCHEMBL30275674
    • DTXSID50868591
    • PYBOFDINXIGETR-UHFFFAOYSA-N
    • (+/-)-8,9-DEHYDROTHEASPIRONE
    • NS00060865
    • Q27264419
    • (+/-)-2,6,10,10-TETRAMETHYL-1-OXASPIRO(4,5)DECA-2,6-DIEN-8-ONE
    • 80722-28-7

  • Applications

    2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one (CAS 80722-28-7) is evaluated for several industrial applications as a fragrance and odorant constituent in perfumery and cosmetics, contributing to scent profiles in personal care formulations; it may also be used as a scent additive in household products to modulate aroma; additionally, the compound is considered a synthetic intermediate for bespoke specialty chemicals in industrial manufacturing, and may serve as a fragrance or aroma stabilizer additive in coatings, inks, and related consumer products; its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.09
    methanol 399.38
    isopropanol 209.32
    water 13.31
    ethyl acetate 649.6
    n-propanol 269.5
    acetone 878.78
    n-butanol 235.06
    acetonitrile 790.09
    DMF 1515.05
    toluene 750.1
    isobutanol 209.29
    1,4-dioxane 782.66
    methyl acetate 707.63
    THF 1248.36
    2-butanone 737.08
    n-pentanol 171.86
    sec-butanol 233.9
    n-hexane 73.29
    ethylene glycol 156.13
    NMP 1473.04
    cyclohexane 108.45
    DMSO 1131.81
    n-butyl acetate 333.5
    n-octanol 129.71
    chloroform 2033.63
    n-propyl acetate 339.22
    acetic acid 472.46
    dichloromethane 1979.35
    cyclohexanone 994.05
    propylene glycol 146.96
    isopropyl acetate 412.23
    DMAc 1151.77
    2-ethoxyethanol 356.71
    isopentanol 214.63
    n-heptane 32.73
    ethyl formate 442.94
    1,2-dichloroethane 1114.56
    n-hexanol 205.76
    2-methoxyethanol 635.17
    isobutyl acetate 212.93
    tetrachloromethane 417.82
    n-pentyl acetate 262.53
    transcutol 861.8
    n-heptanol 115.89
    ethylbenzene 346.96
    MIBK 386.67
    2-propoxyethanol 436.3
    tert-butanol 237.42
    MTBE 345.78
    2-butoxyethanol 243.0
    propionic acid 406.42
    o-xylene 421.43
    formic acid 374.33
    diethyl ether 474.03
    m-xylene 505.45
    p-xylene 392.22
    chlorobenzene 849.29
    dimethyl carbonate 526.99
    n-octane 14.2
    formamide 593.5
    cyclopentanone 1284.23
    2-pentanone 625.77
    anisole 629.01
    cyclopentyl methyl ether 751.61
    gamma-butyrolactone 1338.89
    1-methoxy-2-propanol 495.4
    pyridine 994.84
    3-pentanone 600.13
    furfural 1298.96
    n-dodecane 11.02
    diethylene glycol 385.68
    diisopropyl ether 180.08
    tert-amyl alcohol 245.94
    acetylacetone 829.74
    n-hexadecane 13.17
    acetophenone 578.65
    methyl propionate 653.68
    isopentyl acetate 288.88
    trichloroethylene 2293.09
    n-nonanol 110.15
    cyclohexanol 325.29
    benzyl alcohol 367.24
    2-ethylhexanol 134.38
    isooctanol 98.66
    dipropyl ether 185.65
    1,2-dichlorobenzene 761.91
    ethyl lactate 213.49
    propylene carbonate 754.37
    n-methylformamide 809.73
    2-pentanol 190.65
    n-pentane 61.43
    1-propoxy-2-propanol 264.66
    1-methoxy-2-propyl acetate 452.21
    2-(2-methoxypropoxy) propanol 268.33
    mesitylene 276.47
    ε-caprolactone 815.24
    p-cymene 142.22
    epichlorohydrin 1494.19
    1,1,1-trichloroethane 1115.03
    2-aminoethanol 209.77
    morpholine-4-carbaldehyde 1150.44
    sulfolane 1483.71
    2,2,4-trimethylpentane 42.08
    2-methyltetrahydrofuran 867.61
    n-hexyl acetate 403.89
    isooctane 29.8
    2-(2-butoxyethoxy)ethanol 312.67
    sec-butyl acetate 263.2
    tert-butyl acetate 414.59
    decalin 75.08
    glycerin 258.33
    diglyme 670.4
    acrylic acid 451.53
    isopropyl myristate 127.72
    n-butyric acid 425.47
    acetyl acetate 545.25
    di(2-ethylhexyl) phthalate 145.82
    ethyl propionate 384.66
    nitromethane 1341.0
    1,2-diethoxyethane 273.08
    benzonitrile 578.49
    trioctyl phosphate 100.89
    1-bromopropane 610.9
    gamma-valerolactone 1318.85
    n-decanol 76.22
    triethyl phosphate 172.07
    4-methyl-2-pentanol 130.3
    propionitrile 513.09
    vinylene carbonate 761.77
    1,1,2-trichlorotrifluoroethane 900.25
    DMS 519.34
    cumene 207.83
    2-octanol 88.72
    2-hexanone 368.89
    octyl acetate 171.15
    limonene 181.19
    1,2-dimethoxyethane 619.39
    ethyl orthosilicate 150.66
    tributyl phosphate 133.31
    diacetone alcohol 379.58
    N,N-dimethylaniline 416.78
    acrylonitrile 767.89
    aniline 554.07
    1,3-propanediol 260.17
    bromobenzene 979.82
    dibromomethane 1216.16
    1,1,2,2-tetrachloroethane 1522.05
    2-methyl-cyclohexyl acetate 241.31
    tetrabutyl urea 167.69
    diisobutyl methanol 83.77
    2-phenylethanol 334.51
    styrene 447.47
    dioctyl adipate 181.48
    dimethyl sulfate 938.97
    ethyl butyrate 252.91
    methyl lactate 359.83
    butyl lactate 208.85
    diethyl carbonate 202.06
    propanediol butyl ether 240.23
    triethyl orthoformate 181.15
    p-tert-butyltoluene 139.01
    methyl 4-tert-butylbenzoate 357.1
    morpholine 814.18
    tert-butylamine 158.96
    n-dodecanol 55.17
    dimethoxymethane 849.77
    ethylene carbonate 595.78
    cyrene 346.44
    2-ethoxyethyl acetate 384.78
    2-ethylhexyl acetate 257.45
    1,2,4-trichlorobenzene 868.25
    4-methylpyridine 1119.17
    dibutyl ether 146.76
    2,6-dimethyl-4-heptanol 83.77
    DEF 700.57
    dimethyl isosorbide 488.96
    tetrachloroethylene 1045.4
    eugenol 314.58
    triacetin 398.26
    span 80 209.98
    1,4-butanediol 125.02
    1,1-dichloroethane 994.43
    2-methyl-1-pentanol 173.23
    methyl formate 735.74
    2-methyl-1-butanol 229.17
    n-decane 20.13
    butyronitrile 411.65
    3,7-dimethyl-1-octanol 126.54
    1-chlorooctane 110.56
    1-chlorotetradecane 39.05
    n-nonane 19.71
    undecane 14.36
    tert-butylcyclohexane 59.47
    cyclooctane 51.58
    cyclopentanol 358.63
    tetrahydropyran 679.61
    tert-amyl methyl ether 346.46
    2,5,8-trioxanonane 398.27
    1-hexene 192.99
    2-isopropoxyethanol 247.71
    2,2,2-trifluoroethanol 385.56
    methyl butyrate 432.97

    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