5,5-Dimethyl-1,3-dioxane-2-spirocyclohexane

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  • Identifiers

    CAS number
    707-29-9

    Molecular formula
    C11H20O2

    SMILES
    CC1(COC2(CCCCC2)OC1)C

  • Odor profile

    Fragrance
    Herbal 71.56%
    Sweet 67.52%
    Woody 58.41%
    Camphoreous 49.6%
    Fresh 48.53%
    Mint 45.92%
    Tobacco 38.47%
    Animal 35.14%
    Spicy 33.73%
    Earthy 33.32%

     

    Flavor
    Earthy 44.0%
    Green 41.36%
    Sweet 30.17%
    Herbal 29.82%
    Spicy 29.75%
    Musty 28.07%
    Earth 27.63%
    Woody 25.36%
    Vegetable 24.56%
    Metallic 23.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.01 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    230°C

    Flash point

    • 83.67 ˚C est.

  • Synonyms

    • 707-29-9
    • 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecane
    • 1,5-Dioxaspiro[5.5]undecane, 3,3-dimethyl-
    • 1,5-Dioxaspiro[5.5]undecane,3,3-dimethyl-
    • 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecane
    • FR188I264H
    • NSC 7021
    • NSC-7021
    • EINECS 211-898-0
    • 1,5-Dioxaspiro(5.5)undecane, 3,3-dimethyl-
    • Cyclohexanone, 2,2-dimethyl-1,3-propandiol ketal
    • AI3-22819
    • DTXSID4061040
    • 5,5-Dimethyl-1,3-dioxane-2-spirocyclohexane
    • 2,2-PENTAMETHYLENE-5,5-DIMETHYL-M-DIOXANE
    • thyme undecane
    • NSC7021
    • 1, 3,3-dimethyl-
    • UNII-FR188I264H
    • SCHEMBL3505529
    • DTXCID7046756
    • AKOS006273301
    • DB-279157
    • 1,5-Dioxaspiro5.5undecane, 3,3-dimethyl-
    • NS00012297
    • 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecane #
    • E87080
    • Cyclohexanone, 2,2-dimethyl-1,3-propanediol ketal
    • 211-898-0

  • Applications

    5,5-Dimethyl-1,3-dioxane-2-spirocyclohexane (CAS 707-29-9) is used primarily as an organic synthesis intermediate and as a rigid, spirocyclic scaffold in specialty chemistry. In perfumery and cosmetics, it may be evaluated as an aroma ingredient or fragrance intermediate, contributing to balance and longevity of formulations. It can also find application in household products and cleaners where fragrance components are added to improve scent profiles. In industrial manufacturing, it is employed as a chemical intermediate for the preparation of further functional materials, including coatings and polymers, where its cyclic acetal/ether structure can inform processing or stability. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 252.06
    methanol 221.56
    isopropanol 234.69
    water 1.47
    ethyl acetate 384.56
    n-propanol 252.56
    acetone 333.26
    n-butanol 268.24
    acetonitrile 297.17
    DMF 347.35
    toluene 386.12
    isobutanol 237.44
    1,4-dioxane 531.26
    methyl acetate 354.03
    THF 693.61
    2-butanone 384.99
    n-pentanol 245.59
    sec-butanol 257.4
    n-hexane 106.38
    ethylene glycol 47.67
    NMP 382.42
    cyclohexane 169.87
    DMSO 262.0
    n-butyl acetate 475.65
    n-octanol 281.47
    chloroform 2062.21
    n-propyl acetate 358.75
    acetic acid 378.24
    dichloromethane 1226.54
    cyclohexanone 612.09
    propylene glycol 93.96
    isopropyl acetate 311.76
    DMAc 398.64
    2-ethoxyethanol 293.29
    isopentanol 274.95
    n-heptane 106.07
    ethyl formate 307.58
    1,2-dichloroethane 537.63
    n-hexanol 348.59
    2-methoxyethanol 316.62
    isobutyl acetate 301.27
    tetrachloromethane 343.8
    n-pentyl acetate 356.42
    transcutol 782.48
    n-heptanol 255.0
    ethylbenzene 263.68
    MIBK 270.11
    2-propoxyethanol 387.85
    tert-butanol 306.47
    MTBE 330.51
    2-butoxyethanol 347.84
    propionic acid 302.02
    o-xylene 291.04
    formic acid 96.82
    diethyl ether 281.81
    m-xylene 282.36
    p-xylene 394.66
    chlorobenzene 481.74
    dimethyl carbonate 150.07
    n-octane 62.27
    formamide 122.13
    cyclopentanone 559.37
    2-pentanone 319.14
    anisole 346.42
    cyclopentyl methyl ether 395.42
    gamma-butyrolactone 644.52
    1-methoxy-2-propanol 294.76
    pyridine 566.19
    3-pentanone 272.09
    furfural 659.39
    n-dodecane 57.54
    diethylene glycol 214.98
    diisopropyl ether 155.23
    tert-amyl alcohol 299.13
    acetylacetone 360.73
    n-hexadecane 64.87
    acetophenone 376.81
    methyl propionate 278.12
    isopentyl acetate 472.91
    trichloroethylene 1225.1
    n-nonanol 257.63
    cyclohexanol 335.81
    benzyl alcohol 296.86
    2-ethylhexanol 291.35
    isooctanol 228.9
    dipropyl ether 279.6
    1,2-dichlorobenzene 500.37
    ethyl lactate 195.35
    propylene carbonate 580.2
    n-methylformamide 182.34
    2-pentanol 227.75
    n-pentane 90.0
    1-propoxy-2-propanol 348.01
    1-methoxy-2-propyl acetate 365.61
    2-(2-methoxypropoxy) propanol 321.74
    mesitylene 209.66
    ε-caprolactone 610.29
    p-cymene 224.17
    epichlorohydrin 635.63
    1,1,1-trichloroethane 784.16
    2-aminoethanol 112.06
    morpholine-4-carbaldehyde 517.15
    sulfolane 579.36
    2,2,4-trimethylpentane 68.25
    2-methyltetrahydrofuran 546.97
    n-hexyl acetate 509.71
    isooctane 56.18
    2-(2-butoxyethoxy)ethanol 387.94
    sec-butyl acetate 288.8
    tert-butyl acetate 320.54
    decalin 109.99
    glycerin 120.75
    diglyme 645.6
    acrylic acid 268.87
    isopropyl myristate 251.29
    n-butyric acid 455.82
    acetyl acetate 323.35
    di(2-ethylhexyl) phthalate 211.4
    ethyl propionate 293.28
    nitromethane 452.13
    1,2-diethoxyethane 360.09
    benzonitrile 489.95
    trioctyl phosphate 175.02
    1-bromopropane 419.89
    gamma-valerolactone 699.95
    n-decanol 195.03
    triethyl phosphate 205.03
    4-methyl-2-pentanol 184.11
    propionitrile 338.04
    vinylene carbonate 562.24
    1,1,2-trichlorotrifluoroethane 529.69
    DMS 311.85
    cumene 212.07
    2-octanol 204.43
    2-hexanone 343.06
    octyl acetate 294.62
    limonene 278.44
    1,2-dimethoxyethane 504.47
    ethyl orthosilicate 199.47
    tributyl phosphate 217.01
    diacetone alcohol 280.5
    N,N-dimethylaniline 272.36
    acrylonitrile 362.29
    aniline 323.23
    1,3-propanediol 182.43
    bromobenzene 575.1
    dibromomethane 895.38
    1,1,2,2-tetrachloroethane 1117.06
    2-methyl-cyclohexyl acetate 343.05
    tetrabutyl urea 229.91
    diisobutyl methanol 197.44
    2-phenylethanol 305.62
    styrene 306.05
    dioctyl adipate 307.58
    dimethyl sulfate 203.09
    ethyl butyrate 353.11
    methyl lactate 173.19
    butyl lactate 287.15
    diethyl carbonate 276.31
    propanediol butyl ether 291.95
    triethyl orthoformate 289.86
    p-tert-butyltoluene 220.43
    methyl 4-tert-butylbenzoate 374.62
    morpholine 506.01
    tert-butylamine 259.59
    n-dodecanol 161.73
    dimethoxymethane 274.36
    ethylene carbonate 454.46
    cyrene 267.62
    2-ethoxyethyl acetate 355.72
    2-ethylhexyl acetate 414.99
    1,2,4-trichlorobenzene 567.66
    4-methylpyridine 607.11
    dibutyl ether 329.76
    2,6-dimethyl-4-heptanol 197.44
    DEF 330.09
    dimethyl isosorbide 498.88
    tetrachloroethylene 713.48
    eugenol 302.92
    triacetin 461.47
    span 80 343.14
    1,4-butanediol 108.1
    1,1-dichloroethane 702.58
    2-methyl-1-pentanol 256.0
    methyl formate 180.08
    2-methyl-1-butanol 254.44
    n-decane 91.42
    butyronitrile 390.38
    3,7-dimethyl-1-octanol 294.35
    1-chlorooctane 260.57
    1-chlorotetradecane 124.26
    n-nonane 87.81
    undecane 69.58
    tert-butylcyclohexane 106.06
    cyclooctane 83.15
    cyclopentanol 300.78
    tetrahydropyran 523.97
    tert-amyl methyl ether 276.72
    2,5,8-trioxanonane 430.81
    1-hexene 254.62
    2-isopropoxyethanol 253.94
    2,2,2-trifluoroethanol 158.29
    methyl butyrate 401.03

    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