1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-

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  • Identifiers

    CAS number
    2223-71-4

    Molecular formula
    C12H22O2

    SMILES
    CC(C)(C)C1CCC2(CC1)OCCO2

  • Odor profile

    Fragrance
    Woody 82.38%
    Amber 51.83%
    Dry 49.74%
    Green 48.69%
    Camphoreous 39.55%
    Fresh 38.86%
    Cedar 38.73%
    Herbal 34.75%
    Musk 34.46%
    Vetiver 33.11%

     

    Flavor
    Green 52.34%
    Earthy 36.61%
    Herbal 31.26%
    Pepper 28.3%
    Minty 28.08%
    Earth 28.05%
    Spice 25.46%
    Camphor 24.16%
    Metallic 23.77%
    Sweet 23.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.95 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    256°C

    Flash point

    • 91.27 ˚C est.

  • Synonyms

    • 2223-71-4
    • 8-tert-butyl-1,4-dioxaspiro[4.5]decane
    • 1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-
    • 8-tert-Butyl-1,4-dioxaspiro(4.5)decane
    • p-tert-Butylcyclohexanone ethylene glycol ketal
    • EINECS 218-739-4
    • 1,4-Dioxaspiro(4.5)decane, 8-(1,1-dimethylethyl)-
    • DTXSID9062275
    • SCHEMBL10236404
    • SCKWSYISXZVCQC-UHFFFAOYSA-N
    • 4-tert-Butylcyclohexanone ethylene acetal
    • 8-tert-butyl-1,4-dioxaspiro[4.5]decan
    • DA-38972
    • NS00027105

  • Applications

    1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)- (CAS 2223-71-4) is primarily used as a protected diol building block in organic synthesis. It is commonly evaluated as a versatile intermediate in pharmaceutical and agrochemical projects, where the spiro acetal core provides a stable scaffold and the tert-butyl substituent can be leveraged for further functionalization. The compound can serve as a protecting group for vicinal diols during multi-step sequences, enabling selective transformations. It also functions as a synthetic precursor in polymer and specialty resin chemistry, supporting the preparation of materials for coatings, adhesives, and related applications. In process chemistry, it may be used as a robust building block or precursor to more complex derivatives in industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 902.27
    methanol 826.95
    isopropanol 735.62
    water 11.25
    ethyl acetate 2704.12
    n-propanol 834.22
    acetone 1844.95
    n-butanol 804.15
    acetonitrile 1223.05
    DMF 2308.73
    toluene 1461.59
    isobutanol 687.53
    1,4-dioxane 2905.23
    methyl acetate 1935.36
    THF 3443.25
    2-butanone 1590.21
    n-pentanol 401.72
    sec-butanol 640.49
    n-hexane 156.05
    ethylene glycol 249.17
    NMP 2563.52
    cyclohexane 481.66
    DMSO 1151.2
    n-butyl acetate 1227.8
    n-octanol 328.38
    chloroform 5618.05
    n-propyl acetate 1000.53
    acetic acid 1963.56
    dichloromethane 4352.54
    cyclohexanone 2472.01
    propylene glycol 309.71
    isopropyl acetate 2029.48
    DMAc 2234.11
    2-ethoxyethanol 816.16
    isopentanol 812.05
    n-heptane 120.46
    ethyl formate 1062.17
    1,2-dichloroethane 2577.7
    n-hexanol 633.31
    2-methoxyethanol 1415.88
    isobutyl acetate 779.65
    tetrachloromethane 1032.39
    n-pentyl acetate 720.21
    transcutol 3623.75
    n-heptanol 332.57
    ethylbenzene 532.77
    MIBK 1063.22
    2-propoxyethanol 1357.33
    tert-butanol 880.1
    MTBE 1519.9
    2-butoxyethanol 749.86
    propionic acid 1190.09
    o-xylene 778.93
    formic acid 754.85
    diethyl ether 1787.11
    m-xylene 936.77
    p-xylene 702.76
    chlorobenzene 1668.06
    dimethyl carbonate 1195.38
    n-octane 51.94
    formamide 1114.14
    cyclopentanone 2584.14
    2-pentanone 1499.06
    anisole 1163.38
    cyclopentyl methyl ether 2118.15
    gamma-butyrolactone 3230.03
    1-methoxy-2-propanol 1190.0
    pyridine 2210.81
    3-pentanone 1464.53
    furfural 2638.92
    n-dodecane 47.92
    diethylene glycol 924.8
    diisopropyl ether 795.12
    tert-amyl alcohol 793.12
    acetylacetone 2249.34
    n-hexadecane 57.25
    acetophenone 981.45
    methyl propionate 1925.0
    isopentyl acetate 1250.74
    trichloroethylene 5203.46
    n-nonanol 316.27
    cyclohexanol 1103.4
    benzyl alcohol 666.72
    2-ethylhexanol 445.97
    isooctanol 294.61
    dipropyl ether 767.04
    1,2-dichlorobenzene 1466.2
    ethyl lactate 475.57
    propylene carbonate 2156.08
    n-methylformamide 1227.67
    2-pentanol 652.82
    n-pentane 205.65
    1-propoxy-2-propanol 935.31
    1-methoxy-2-propyl acetate 1829.73
    2-(2-methoxypropoxy) propanol 825.11
    mesitylene 593.9
    ε-caprolactone 2478.75
    p-cymene 355.37
    epichlorohydrin 3392.35
    1,1,1-trichloroethane 3232.51
    2-aminoethanol 464.69
    morpholine-4-carbaldehyde 2929.66
    sulfolane 2590.31
    2,2,4-trimethylpentane 152.97
    2-methyltetrahydrofuran 2614.58
    n-hexyl acetate 1113.21
    isooctane 113.26
    2-(2-butoxyethoxy)ethanol 1103.0
    sec-butyl acetate 959.31
    tert-butyl acetate 1975.48
    decalin 198.0
    glycerin 491.59
    diglyme 2201.51
    acrylic acid 1081.44
    isopropyl myristate 437.64
    n-butyric acid 1737.95
    acetyl acetate 2502.97
    di(2-ethylhexyl) phthalate 405.22
    ethyl propionate 1178.57
    nitromethane 3271.54
    1,2-diethoxyethane 1393.1
    benzonitrile 977.99
    trioctyl phosphate 259.32
    1-bromopropane 1402.53
    gamma-valerolactone 3705.64
    n-decanol 227.11
    triethyl phosphate 536.64
    4-methyl-2-pentanol 482.91
    propionitrile 1044.71
    vinylene carbonate 2022.5
    1,1,2-trichlorotrifluoroethane 2294.2
    DMS 1249.26
    cumene 359.15
    2-octanol 219.45
    2-hexanone 709.77
    octyl acetate 527.87
    limonene 530.5
    1,2-dimethoxyethane 1415.33
    ethyl orthosilicate 550.25
    tributyl phosphate 398.57
    diacetone alcohol 1168.31
    N,N-dimethylaniline 668.64
    acrylonitrile 1189.43
    aniline 1374.72
    1,3-propanediol 703.83
    bromobenzene 1870.52
    dibromomethane 2591.03
    1,1,2,2-tetrachloroethane 3944.75
    2-methyl-cyclohexyl acetate 790.74
    tetrabutyl urea 421.51
    diisobutyl methanol 285.81
    2-phenylethanol 753.05
    styrene 695.67
    dioctyl adipate 617.02
    dimethyl sulfate 1539.39
    ethyl butyrate 974.59
    methyl lactate 730.6
    butyl lactate 507.58
    diethyl carbonate 740.45
    propanediol butyl ether 542.84
    triethyl orthoformate 795.25
    p-tert-butyltoluene 377.82
    methyl 4-tert-butylbenzoate 891.0
    morpholine 2710.34
    tert-butylamine 653.01
    n-dodecanol 175.33
    dimethoxymethane 1995.61
    ethylene carbonate 1815.1
    cyrene 709.19
    2-ethoxyethyl acetate 1221.53
    2-ethylhexyl acetate 1002.73
    1,2,4-trichlorobenzene 1799.1
    4-methylpyridine 2272.03
    dibutyl ether 632.86
    2,6-dimethyl-4-heptanol 285.81
    DEF 1860.75
    dimethyl isosorbide 1557.19
    tetrachloroethylene 2581.99
    eugenol 619.75
    triacetin 1204.9
    span 80 662.01
    1,4-butanediol 230.16
    1,1-dichloroethane 2712.24
    2-methyl-1-pentanol 423.82
    methyl formate 1047.25
    2-methyl-1-butanol 744.0
    n-decane 82.0
    butyronitrile 959.81
    3,7-dimethyl-1-octanol 397.9
    1-chlorooctane 339.82
    1-chlorotetradecane 148.82
    n-nonane 76.38
    undecane 59.84
    tert-butylcyclohexane 173.57
    cyclooctane 188.99
    cyclopentanol 1020.07
    tetrahydropyran 2541.22
    tert-amyl methyl ether 1145.78
    2,5,8-trioxanonane 1392.21
    1-hexene 390.42
    2-isopropoxyethanol 621.6
    2,2,2-trifluoroethanol 1041.4
    methyl butyrate 1186.37

    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