2,6,9,10,10-Pentamethyl-1-oxaspiro[4.5]deca-3,6-diene

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  • Identifiers

    CAS number
    63128-04-1

    Molecular formula
    C14H22O

    SMILES
    CC1CC=C(C2(C1(C)C)C=CC(O2)C)C

  • Odor profile

    Fragrance
    Fruity 89.48%
    Berry 50.43%
    Woody 47.28%
    Black currant 44.33%
    Tropical 33.18%
    Mint 32.84%
    Spicy 31.22%
    Raspberry 30.8%
    Floral 30.64%
    Herbal 28.34%

     

    Flavor
    Woody 71.25%
    Herbal 59.88%
    Green 55.44%
    Earthy 43.94%
    Spicy 42.83%
    Camphor 38.68%
    Wood 37.0%
    Fruity 36.21%
    Minty 35.74%
    Floral 34.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.85 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    235°C

    Flash point

    • 93.61 ˚C est.

  • Synonyms

    • 63128-04-1
    • SCHEMBL2390041
    • DTXSID40604369
    • YSTCWLVSSIONJO-UHFFFAOYSA-N
    • 2,6,9,10,10-Pentamethyl-1-oxaspiro[4.5]deca-3,6-diene
    • 2,6,9,10,10-Pentamethyl-1-oxa-spiro[4.5]deca-3,6-diene

  • Applications

    2,6,9,10,10-Pentamethyl-1-oxaspiro[4.5]deca-3,6-diene (CAS 63128-04-1) is a rigid spirocyclic compound that is primarily considered as an intermediate and building block in organic synthesis, with practical potential across several industries. In perfumery, it may serve as an odorant component and/or fragrance precursor for complex formulas. In cosmetics/personal care, it may be evaluated as a fragrance ingredient or fragrance precursor. In household products, it may function as a fragrance ingredient or solvent carrier providing aroma. In polymers and plastics, it is explored as a specialty monomer or functional additive to influence material properties. In coatings and inks, it can be used as a processing additive or intermediate precursor for formulation of coatings and printed materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 185.08
    methanol 161.28
    isopropanol 208.16
    water 2.08
    ethyl acetate 427.63
    n-propanol 246.94
    acetone 407.68
    n-butanol 257.39
    acetonitrile 312.71
    DMF 535.93
    toluene 763.13
    isobutanol 239.93
    1,4-dioxane 689.45
    methyl acetate 404.97
    THF 1033.26
    2-butanone 468.52
    n-pentanol 200.3
    sec-butanol 253.68
    n-hexane 150.96
    ethylene glycol 48.07
    NMP 654.57
    cyclohexane 265.44
    DMSO 282.82
    n-butyl acetate 439.12
    n-octanol 287.68
    chloroform 1680.71
    n-propyl acetate 320.46
    acetic acid 154.55
    dichloromethane 1365.52
    cyclohexanone 844.92
    propylene glycol 72.36
    isopropyl acetate 350.38
    DMAc 529.86
    2-ethoxyethanol 232.14
    isopentanol 244.08
    n-heptane 152.16
    ethyl formate 262.02
    1,2-dichloroethane 726.8
    n-hexanol 345.48
    2-methoxyethanol 306.21
    isobutyl acetate 279.94
    tetrachloromethane 512.52
    n-pentyl acetate 395.56
    transcutol 467.16
    n-heptanol 253.04
    ethylbenzene 477.0
    MIBK 350.04
    2-propoxyethanol 396.94
    tert-butanol 261.47
    MTBE 393.5
    2-butoxyethanol 297.3
    propionic acid 208.35
    o-xylene 532.35
    formic acid 45.29
    diethyl ether 436.01
    m-xylene 612.08
    p-xylene 589.57
    chlorobenzene 740.39
    dimethyl carbonate 225.14
    n-octane 83.48
    formamide 81.52
    cyclopentanone 897.04
    2-pentanone 453.2
    anisole 561.42
    cyclopentyl methyl ether 660.47
    gamma-butyrolactone 801.05
    1-methoxy-2-propanol 271.04
    pyridine 722.51
    3-pentanone 431.19
    furfural 668.07
    n-dodecane 72.12
    diethylene glycol 215.09
    diisopropyl ether 241.94
    tert-amyl alcohol 265.11
    acetylacetone 489.4
    n-hexadecane 85.0
    acetophenone 521.01
    methyl propionate 379.09
    isopentyl acetate 434.24
    trichloroethylene 1346.01
    n-nonanol 248.65
    cyclohexanol 383.16
    benzyl alcohol 338.78
    2-ethylhexanol 295.06
    isooctanol 226.1
    dipropyl ether 357.54
    1,2-dichlorobenzene 737.8
    ethyl lactate 175.89
    propylene carbonate 498.49
    n-methylformamide 210.69
    2-pentanol 228.93
    n-pentane 152.56
    1-propoxy-2-propanol 321.04
    1-methoxy-2-propyl acetate 414.14
    2-(2-methoxypropoxy) propanol 290.15
    mesitylene 461.78
    ε-caprolactone 660.79
    p-cymene 354.71
    epichlorohydrin 808.77
    1,1,1-trichloroethane 974.51
    2-aminoethanol 94.45
    morpholine-4-carbaldehyde 671.01
    sulfolane 753.8
    2,2,4-trimethylpentane 101.96
    2-methyltetrahydrofuran 749.87
    n-hexyl acetate 548.87
    isooctane 90.72
    2-(2-butoxyethoxy)ethanol 318.93
    sec-butyl acetate 288.6
    tert-butyl acetate 376.48
    decalin 170.53
    glycerin 94.79
    diglyme 573.89
    acrylic acid 178.36
    isopropyl myristate 268.85
    n-butyric acid 286.92
    acetyl acetate 318.8
    di(2-ethylhexyl) phthalate 225.19
    ethyl propionate 348.4
    nitromethane 315.81
    1,2-diethoxyethane 332.16
    benzonitrile 565.55
    trioctyl phosphate 177.33
    1-bromopropane 577.49
    gamma-valerolactone 888.46
    n-decanol 190.09
    triethyl phosphate 218.19
    4-methyl-2-pentanol 174.1
    propionitrile 352.96
    vinylene carbonate 515.83
    1,1,2-trichlorotrifluoroethane 433.6
    DMS 430.14
    cumene 362.45
    2-octanol 227.77
    2-hexanone 360.49
    octyl acetate 312.5
    limonene 399.26
    1,2-dimethoxyethane 460.37
    ethyl orthosilicate 210.19
    tributyl phosphate 199.25
    diacetone alcohol 301.81
    N,N-dimethylaniline 428.34
    acrylonitrile 382.93
    aniline 446.94
    1,3-propanediol 150.48
    bromobenzene 950.98
    dibromomethane 992.14
    1,1,2,2-tetrachloroethane 1039.98
    2-methyl-cyclohexyl acetate 372.31
    tetrabutyl urea 248.62
    diisobutyl methanol 187.52
    2-phenylethanol 424.82
    styrene 507.36
    dioctyl adipate 314.38
    dimethyl sulfate 317.06
    ethyl butyrate 388.01
    methyl lactate 167.44
    butyl lactate 237.76
    diethyl carbonate 280.08
    propanediol butyl ether 233.81
    triethyl orthoformate 275.02
    p-tert-butyltoluene 341.58
    methyl 4-tert-butylbenzoate 454.61
    morpholine 604.72
    tert-butylamine 239.91
    n-dodecanol 152.51
    dimethoxymethane 448.58
    ethylene carbonate 414.9
    cyrene 305.22
    2-ethoxyethyl acetate 399.57
    2-ethylhexyl acetate 398.31
    1,2,4-trichlorobenzene 782.44
    4-methylpyridine 838.24
    dibutyl ether 317.31
    2,6-dimethyl-4-heptanol 187.52
    DEF 464.4
    dimethyl isosorbide 560.06
    tetrachloroethylene 771.03
    eugenol 363.28
    triacetin 427.87
    span 80 276.48
    1,4-butanediol 87.13
    1,1-dichloroethane 799.39
    2-methyl-1-pentanol 223.16
    methyl formate 208.11
    2-methyl-1-butanol 266.66
    n-decane 115.23
    butyronitrile 380.2
    3,7-dimethyl-1-octanol 262.69
    1-chlorooctane 310.52
    1-chlorotetradecane 144.09
    n-nonane 113.26
    undecane 88.85
    tert-butylcyclohexane 155.74
    cyclooctane 154.6
    cyclopentanol 382.35
    tetrahydropyran 705.92
    tert-amyl methyl ether 346.55
    2,5,8-trioxanonane 413.39
    1-hexene 274.74
    2-isopropoxyethanol 210.96
    2,2,2-trifluoroethanol 98.31
    methyl butyrate 397.34

    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