1-Oxaspiro(5.5)undecan-4-ol, 4-methyl-

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  • Identifiers

    CAS number
    57094-40-3

    Molecular formula
    C11H20O2

    SMILES
    CC1(CCOC2(C1)CCCCC2)O

  • Odor profile

    Fragrance
    Woody 51.06%
    Floral 42.51%
    Mint 37.96%
    Camphoreous 37.37%
    Animal 34.58%
    Musk 33.21%
    Clean 33.08%
    Amber 32.67%
    Fresh 32.39%
    Herbal 32.2%

     

    Flavor
    Earthy 34.77%
    Minty 32.35%
    Camphor 25.95%
    Musty 25.92%
    Green 25.09%
    Beet 23.59%
    Soil 23.3%
    Earth 22.95%
    Sweet 22.49%
    Terpenic 21.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.42 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 114.13 ˚C est.

  • Synonyms

    • Oxaspirane
    • 57094-40-3
    • 4-methyl-1-oxaspiro[5.5]undecan-4-ol
    • 4-Methyl-1-oxaspiro(5.5)undecan-4-ol
    • 1-Oxaspiro[5.5]undecan-4-ol, 4-methyl-
    • DTXSID90866612
    • EINECS 260-558-8
    • 1-Oxaspiro(5.5)undecan-4-ol, 4-methyl-
    • SCHEMBL1471749
    • DTXCID30814879
    • WTYRGXLTFZYIIM-UHFFFAOYSA-N
    • 1-Oxaspiro5.5undecan-4-ol, 4-methyl-
    • NS00012953
    • 260-558-8

  • Applications

    1-Oxaspiro(5.5)undecan-4-ol, 4-methyl- is used primarily as an intermediate in organic synthesis for pharmaceuticals and other specialty chemicals. It is also evaluated for use in perfumery as an odorant or fragrance ingredient due to its rigid spiro-oxacyclic skeleton. In cosmetics and personal care, it may serve as a fragrance component in formulations. It can function as a building block in research and development, enabling the synthesis of more complex intermediates. Additionally, it may be explored as a precursor in specialty polymer or materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 205.02
    methanol 306.09
    isopropanol 221.38
    water 2.44
    ethyl acetate 159.84
    n-propanol 235.33
    acetone 198.7
    n-butanol 198.6
    acetonitrile 168.74
    DMF 259.92
    toluene 147.16
    isobutanol 188.49
    1,4-dioxane 370.86
    methyl acetate 173.27
    THF 552.69
    2-butanone 177.41
    n-pentanol 118.19
    sec-butanol 178.47
    n-hexane 33.38
    ethylene glycol 90.17
    NMP 269.18
    cyclohexane 85.59
    DMSO 301.25
    n-butyl acetate 145.23
    n-octanol 132.1
    chloroform 728.54
    n-propyl acetate 98.33
    acetic acid 189.63
    dichloromethane 466.1
    cyclohexanone 330.91
    propylene glycol 154.48
    isopropyl acetate 115.72
    DMAc 229.24
    2-ethoxyethanol 137.45
    isopentanol 150.99
    n-heptane 45.12
    ethyl formate 130.35
    1,2-dichloroethane 202.39
    n-hexanol 236.18
    2-methoxyethanol 259.21
    isobutyl acetate 86.91
    tetrachloromethane 105.21
    n-pentyl acetate 107.22
    transcutol 431.94
    n-heptanol 112.96
    ethylbenzene 71.99
    MIBK 111.56
    2-propoxyethanol 280.05
    tert-butanol 244.27
    MTBE 138.48
    2-butoxyethanol 148.26
    propionic acid 205.74
    o-xylene 105.04
    formic acid 70.34
    diethyl ether 157.88
    m-xylene 108.37
    p-xylene 96.04
    chlorobenzene 174.42
    dimethyl carbonate 76.08
    n-octane 18.97
    formamide 71.93
    cyclopentanone 359.47
    2-pentanone 149.27
    anisole 119.63
    cyclopentyl methyl ether 229.27
    gamma-butyrolactone 401.88
    1-methoxy-2-propanol 251.18
    pyridine 259.03
    3-pentanone 134.62
    furfural 306.26
    n-dodecane 19.16
    diethylene glycol 227.01
    diisopropyl ether 61.57
    tert-amyl alcohol 158.33
    acetylacetone 174.73
    n-hexadecane 21.5
    acetophenone 121.19
    methyl propionate 151.98
    isopentyl acetate 133.74
    trichloroethylene 413.14
    n-nonanol 110.7
    cyclohexanol 234.81
    benzyl alcohol 118.48
    2-ethylhexanol 128.92
    isooctanol 87.86
    dipropyl ether 134.27
    1,2-dichlorobenzene 157.96
    ethyl lactate 89.09
    propylene carbonate 253.74
    n-methylformamide 150.59
    2-pentanol 135.5
    n-pentane 44.67
    1-propoxy-2-propanol 207.95
    1-methoxy-2-propyl acetate 166.82
    2-(2-methoxypropoxy) propanol 169.69
    mesitylene 79.13
    ε-caprolactone 274.73
    p-cymene 74.14
    epichlorohydrin 293.91
    1,1,1-trichloroethane 238.82
    2-aminoethanol 161.37
    morpholine-4-carbaldehyde 305.54
    sulfolane 406.75
    2,2,4-trimethylpentane 21.93
    2-methyltetrahydrofuran 299.29
    n-hexyl acetate 177.27
    isooctane 19.69
    2-(2-butoxyethoxy)ethanol 214.24
    sec-butyl acetate 76.75
    tert-butyl acetate 119.24
    decalin 32.26
    glycerin 193.17
    diglyme 310.84
    acrylic acid 174.7
    isopropyl myristate 84.3
    n-butyric acid 237.44
    acetyl acetate 134.19
    di(2-ethylhexyl) phthalate 92.24
    ethyl propionate 94.67
    nitromethane 243.66
    1,2-diethoxyethane 135.92
    benzonitrile 167.59
    trioctyl phosphate 75.5
    1-bromopropane 166.02
    gamma-valerolactone 374.59
    n-decanol 84.58
    triethyl phosphate 78.29
    4-methyl-2-pentanol 86.44
    propionitrile 187.06
    vinylene carbonate 240.2
    1,1,2-trichlorotrifluoroethane 262.57
    DMS 140.68
    cumene 62.04
    2-octanol 79.69
    2-hexanone 103.21
    octyl acetate 107.99
    limonene 103.45
    1,2-dimethoxyethane 215.4
    ethyl orthosilicate 71.82
    tributyl phosphate 86.04
    diacetone alcohol 150.61
    N,N-dimethylaniline 91.2
    acrylonitrile 196.75
    aniline 160.83
    1,3-propanediol 178.39
    bromobenzene 187.16
    dibromomethane 330.09
    1,1,2,2-tetrachloroethane 353.13
    2-methyl-cyclohexyl acetate 120.38
    tetrabutyl urea 103.38
    diisobutyl methanol 82.35
    2-phenylethanol 139.02
    styrene 84.24
    dioctyl adipate 116.04
    dimethyl sulfate 122.31
    ethyl butyrate 115.7
    methyl lactate 124.5
    butyl lactate 112.78
    diethyl carbonate 87.2
    propanediol butyl ether 168.69
    triethyl orthoformate 91.57
    p-tert-butyltoluene 74.07
    methyl 4-tert-butylbenzoate 150.67
    morpholine 334.64
    tert-butylamine 165.66
    n-dodecanol 69.15
    dimethoxymethane 191.83
    ethylene carbonate 200.06
    cyrene 143.1
    2-ethoxyethyl acetate 133.9
    2-ethylhexyl acetate 116.31
    1,2,4-trichlorobenzene 182.7
    4-methylpyridine 220.93
    dibutyl ether 109.04
    2,6-dimethyl-4-heptanol 82.35
    DEF 154.65
    dimethyl isosorbide 252.45
    tetrachloroethylene 232.74
    eugenol 131.79
    triacetin 179.78
    span 80 177.65
    1,4-butanediol 80.19
    1,1-dichloroethane 238.39
    2-methyl-1-pentanol 95.14
    methyl formate 125.93
    2-methyl-1-butanol 149.78
    n-decane 30.3
    butyronitrile 176.22
    3,7-dimethyl-1-octanol 116.01
    1-chlorooctane 85.71
    1-chlorotetradecane 40.17
    n-nonane 30.35
    undecane 23.2
    tert-butylcyclohexane 29.89
    cyclooctane 33.97
    cyclopentanol 255.14
    tetrahydropyran 345.54
    tert-amyl methyl ether 108.61
    2,5,8-trioxanonane 248.07
    1-hexene 80.56
    2-isopropoxyethanol 109.64
    2,2,2-trifluoroethanol 85.96
    methyl butyrate 114.72

    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