2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene

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  • Identifiers

    CAS number
    71078-31-4

    Molecular formula
    C13H20O

    SMILES
    CC1CC=C(C2(C1C)C=CC(O2)C)C

  • Odor profile

    Fragrance
    Fruity 89.17%
    Berry 45.73%
    Black currant 43.0%
    Tropical 35.79%
    Woody 32.19%
    Spicy 28.12%
    Mint 26.54%
    Raspberry 26.08%
    Floral 26.02%
    Herbal 23.28%

     

    Flavor
    Herbal 41.82%
    Woody 37.88%
    Green 37.01%
    Minty 35.49%
    Spice 33.07%
    Floral 32.77%
    Spicy 32.16%
    Mint 31.11%
    Fruity 30.78%
    Herb 29.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.05 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 83.38 ˚C est.

  • Synonyms

    • 71078-31-4
    • Isospirene
    • 2,6,9,10-TETRAMETHYL-1-OXASPIRO[4.5]DECA-3,6-DIENE
    • EINECS 275-181-4
    • 2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
    • DTXSID6052457
    • 1-Oxaspiro(4.5)deca-3,6-diene, 2,6,9,10-tetramethyl-
    • 1-Oxaspiro[4.5]deca-3,6-diene, 2,6,9,10-tetramethyl-
    • SCHEMBL1427700
    • DTXCID7031030
    • WYTVJTNOJJKEEQ-UHFFFAOYSA-N
    • NS00020115
    • 275-181-4

  • Applications

    2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene (CAS 71078-31-4) is a highly substituted spirocyclic diene that serves primarily as an organic synthesis intermediate. In industrial and research settings, it is commonly used as a building block for constructing more complex spirocyclic architectures and as a reactive precursor in the development of specialty polymers and copolymers. It can function as a monomer or crosslinking component in UV-curable coatings and adhesive formulations, where its rigid, compact structure can impart thermal and mechanical stability. Additionally, it is often evaluated as a synthetic scaffold in pharmaceutical and agrochemical research, with exact applications driven by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 208.26
    methanol 164.85
    isopropanol 224.95
    water 1.19
    ethyl acetate 392.02
    n-propanol 254.38
    acetone 347.55
    n-butanol 274.23
    acetonitrile 281.46
    DMF 347.59
    toluene 680.19
    isobutanol 243.33
    1,4-dioxane 688.09
    methyl acetate 363.26
    THF 969.59
    2-butanone 419.03
    n-pentanol 211.17
    sec-butanol 254.95
    n-hexane 149.09
    ethylene glycol 42.77
    NMP 466.36
    cyclohexane 265.67
    DMSO 240.0
    n-butyl acetate 453.6
    n-octanol 294.51
    chloroform 1605.48
    n-propyl acetate 297.83
    acetic acid 142.56
    dichloromethane 1381.43
    cyclohexanone 718.62
    propylene glycol 63.05
    isopropyl acetate 319.61
    DMAc 393.67
    2-ethoxyethanol 228.62
    isopentanol 271.36
    n-heptane 157.09
    ethyl formate 227.37
    1,2-dichloroethane 694.53
    n-hexanol 386.59
    2-methoxyethanol 280.45
    isobutyl acetate 259.14
    tetrachloromethane 450.25
    n-pentyl acetate 375.34
    transcutol 572.76
    n-heptanol 249.17
    ethylbenzene 398.88
    MIBK 322.49
    2-propoxyethanol 389.66
    tert-butanol 277.63
    MTBE 400.57
    2-butoxyethanol 285.88
    propionic acid 183.75
    o-xylene 444.93
    formic acid 36.46
    diethyl ether 455.58
    m-xylene 509.12
    p-xylene 478.14
    chlorobenzene 672.16
    dimethyl carbonate 165.18
    n-octane 82.11
    formamide 60.3
    cyclopentanone 729.15
    2-pentanone 398.6
    anisole 497.02
    cyclopentyl methyl ether 593.61
    gamma-butyrolactone 650.71
    1-methoxy-2-propanol 259.17
    pyridine 671.09
    3-pentanone 368.52
    furfural 548.18
    n-dodecane 77.38
    diethylene glycol 212.43
    diisopropyl ether 232.54
    tert-amyl alcohol 270.4
    acetylacetone 415.51
    n-hexadecane 89.22
    acetophenone 438.63
    methyl propionate 323.73
    isopentyl acetate 446.67
    trichloroethylene 1195.97
    n-nonanol 255.55
    cyclohexanol 374.76
    benzyl alcohol 307.01
    2-ethylhexanol 313.71
    isooctanol 221.67
    dipropyl ether 358.03
    1,2-dichlorobenzene 621.63
    ethyl lactate 150.0
    propylene carbonate 422.42
    n-methylformamide 153.94
    2-pentanol 237.05
    n-pentane 151.28
    1-propoxy-2-propanol 315.97
    1-methoxy-2-propyl acetate 385.84
    2-(2-methoxypropoxy) propanol 308.89
    mesitylene 377.09
    ε-caprolactone 597.01
    p-cymene 317.62
    epichlorohydrin 731.32
    1,1,1-trichloroethane 872.69
    2-aminoethanol 88.13
    morpholine-4-carbaldehyde 502.84
    sulfolane 624.99
    2,2,4-trimethylpentane 97.34
    2-methyltetrahydrofuran 741.46
    n-hexyl acetate 530.96
    isooctane 89.72
    2-(2-butoxyethoxy)ethanol 339.8
    sec-butyl acetate 260.35
    tert-butyl acetate 346.78
    decalin 157.41
    glycerin 84.62
    diglyme 573.5
    acrylic acid 146.62
    isopropyl myristate 270.47
    n-butyric acid 278.2
    acetyl acetate 279.48
    di(2-ethylhexyl) phthalate 225.49
    ethyl propionate 304.05
    nitromethane 243.64
    1,2-diethoxyethane 368.33
    benzonitrile 512.01
    trioctyl phosphate 169.78
    1-bromopropane 607.16
    gamma-valerolactone 680.2
    n-decanol 197.22
    triethyl phosphate 203.79
    4-methyl-2-pentanol 181.89
    propionitrile 330.0
    vinylene carbonate 418.72
    1,1,2-trichlorotrifluoroethane 366.88
    DMS 365.69
    cumene 310.77
    2-octanol 221.63
    2-hexanone 321.02
    octyl acetate 311.26
    limonene 373.41
    1,2-dimethoxyethane 435.99
    ethyl orthosilicate 194.67
    tributyl phosphate 194.16
    diacetone alcohol 278.88
    N,N-dimethylaniline 357.52
    acrylonitrile 327.81
    aniline 406.75
    1,3-propanediol 145.0
    bromobenzene 875.12
    dibromomethane 1056.21
    1,1,2,2-tetrachloroethane 910.24
    2-methyl-cyclohexyl acetate 355.78
    tetrabutyl urea 234.84
    diisobutyl methanol 191.87
    2-phenylethanol 404.47
    styrene 436.24
    dioctyl adipate 314.13
    dimethyl sulfate 220.41
    ethyl butyrate 370.61
    methyl lactate 136.61
    butyl lactate 217.85
    diethyl carbonate 262.97
    propanediol butyl ether 229.62
    triethyl orthoformate 259.72
    p-tert-butyltoluene 293.24
    methyl 4-tert-butylbenzoate 412.79
    morpholine 584.32
    tert-butylamine 249.32
    n-dodecanol 159.81
    dimethoxymethane 355.5
    ethylene carbonate 350.32
    cyrene 267.62
    2-ethoxyethyl acetate 384.1
    2-ethylhexyl acetate 400.76
    1,2,4-trichlorobenzene 663.34
    4-methylpyridine 751.24
    dibutyl ether 335.14
    2,6-dimethyl-4-heptanol 191.87
    DEF 378.91
    dimethyl isosorbide 533.64
    tetrachloroethylene 666.06
    eugenol 327.16
    triacetin 397.15
    span 80 284.63
    1,4-butanediol 81.72
    1,1-dichloroethane 770.33
    2-methyl-1-pentanol 238.8
    methyl formate 147.03
    2-methyl-1-butanol 277.47
    n-decane 118.28
    butyronitrile 383.77
    3,7-dimethyl-1-octanol 277.64
    1-chlorooctane 314.36
    1-chlorotetradecane 146.6
    n-nonane 116.81
    undecane 93.03
    tert-butylcyclohexane 143.39
    cyclooctane 142.26
    cyclopentanol 363.12
    tetrahydropyran 729.99
    tert-amyl methyl ether 332.65
    2,5,8-trioxanonane 426.06
    1-hexene 287.78
    2-isopropoxyethanol 210.95
    2,2,2-trifluoroethanol 77.1
    methyl butyrate 340.85

    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