1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, cis-

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  • Identifiers

    CAS number
    91069-39-5

    Molecular formula
    C11H18O2

    SMILES
    CCC1CCC2(CC1)CCC(=O)O2

  • Odor profile

    Fragrance
    Lactonic 67.16%
    Coconut 65.99%
    Creamy 54.75%
    Coumarinic 53.59%
    Spicy 49.67%
    Woody 47.77%
    Herbal 40.51%
    Animal 39.95%
    Celery 38.89%
    Milky 37.44%

     

    Flavor
    Coconut 56.98%
    Fruity 53.29%
    Sweet 48.17%
    Creamy 46.03%
    Peach 45.34%
    Fatty 42.43%
    Tonka 37.11%
    Dairy 34.8%
    Coumarin 34.3%
    Fruit 34.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.76 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 104.85 ˚C est.

  • Synonyms

    • 1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, cis-
    • 91069-39-5
    • 91069-40-8
    • 1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, trans-
    • 1-Oxaspiro[4.5]decan-2-one, 8-ethyl-, cis-
    • 1-Oxaspiro[4.5]decan-2-one, 8-ethyl-, trans-
    • 8-ethyl-1-oxaspiro[4.5]decan-2-one
    • SCHEMBL2186874
    • SCHEMBL4467722
    • SCHEMBL11000682
    • DTXSID20869075
    • DTXSID50891309
    • DTXSID60891310
    • GITDWIBIPJFPDK-HOMQSWHASA-N
    • GITDWIBIPJFPDK-UHFFFAOYSA-N

  • Applications

    1-Oxaspiro(4.5)decan-2-one, 8-ethyl-, cis- (CAS 91069-39-5) is used primarily as a fragrance ingredient and odorant in the fragrance industry, contributing to scent profiles and, in some formulations, acting as a fixative; in cosmetics and personal care products it may serve as a fragrance additive; in household cleaning and care products it may be employed as an aroma component to enhance perceived freshness; in industrial manufacturing it can serve as an intermediate in organic synthesis and as a precursor for other specialty chemicals; in the polymers/plastics sector it may be used as a building block or precursor to lactone-containing materials to tailor polymer properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1155.52
    methanol 1236.22
    isopropanol 970.54
    water 0.65
    ethyl acetate 1882.64
    n-propanol 951.08
    acetone 1815.15
    n-butanol 791.81
    acetonitrile 1094.16
    DMF 1423.72
    toluene 913.63
    isobutanol 603.54
    1,4-dioxane 2810.97
    methyl acetate 1357.01
    THF 2698.91
    2-butanone 1311.8
    n-pentanol 366.37
    sec-butanol 541.26
    n-hexane 33.03
    ethylene glycol 159.04
    NMP 861.56
    cyclohexane 112.4
    DMSO 1201.9
    n-butyl acetate 851.76
    n-octanol 151.18
    chloroform 4281.25
    n-propyl acetate 653.34
    acetic acid 729.43
    dichloromethane 3127.31
    cyclohexanone 1567.95
    propylene glycol 264.76
    isopropyl acetate 1150.65
    DMAc 1022.97
    2-ethoxyethanol 628.77
    isopentanol 702.69
    n-heptane 16.93
    ethyl formate 766.14
    1,2-dichloroethane 1891.84
    n-hexanol 456.84
    2-methoxyethanol 1303.3
    isobutyl acetate 462.67
    tetrachloromethane 326.06
    n-pentyl acetate 377.84
    transcutol 3307.81
    n-heptanol 161.27
    ethylbenzene 268.9
    MIBK 682.51
    2-propoxyethanol 972.77
    tert-butanol 1007.78
    MTBE 1242.86
    2-butoxyethanol 410.39
    propionic acid 703.98
    o-xylene 334.56
    formic acid 239.84
    diethyl ether 1399.03
    m-xylene 464.65
    p-xylene 349.23
    chlorobenzene 1139.51
    dimethyl carbonate 492.5
    n-octane 8.48
    formamide 491.68
    cyclopentanone 1644.6
    2-pentanone 1110.58
    anisole 725.92
    cyclopentyl methyl ether 986.31
    gamma-butyrolactone 1873.7
    1-methoxy-2-propanol 1068.35
    pyridine 1916.84
    3-pentanone 764.33
    furfural 1456.77
    n-dodecane 10.89
    diethylene glycol 651.12
    diisopropyl ether 332.42
    tert-amyl alcohol 519.96
    acetylacetone 1439.44
    n-hexadecane 13.67
    acetophenone 545.36
    methyl propionate 1142.62
    isopentyl acetate 748.6
    trichloroethylene 3222.63
    n-nonanol 143.38
    cyclohexanol 619.64
    benzyl alcohol 471.13
    2-ethylhexanol 219.09
    isooctanol 137.25
    dipropyl ether 289.55
    1,2-dichlorobenzene 838.52
    ethyl lactate 235.35
    propylene carbonate 1018.96
    n-methylformamide 941.29
    2-pentanol 443.17
    n-pentane 40.84
    1-propoxy-2-propanol 594.54
    1-methoxy-2-propyl acetate 979.3
    2-(2-methoxypropoxy) propanol 496.93
    mesitylene 257.63
    ε-caprolactone 1402.18
    p-cymene 127.9
    epichlorohydrin 2200.88
    1,1,1-trichloroethane 1591.12
    2-aminoethanol 423.49
    morpholine-4-carbaldehyde 1369.81
    sulfolane 1295.71
    2,2,4-trimethylpentane 28.88
    2-methyltetrahydrofuran 1663.59
    n-hexyl acetate 568.92
    isooctane 31.31
    2-(2-butoxyethoxy)ethanol 749.54
    sec-butyl acetate 539.53
    tert-butyl acetate 1007.68
    decalin 47.24
    glycerin 338.44
    diglyme 1344.99
    acrylic acid 501.7
    isopropyl myristate 204.67
    n-butyric acid 1186.96
    acetyl acetate 1016.33
    di(2-ethylhexyl) phthalate 200.89
    ethyl propionate 582.12
    nitromethane 1507.76
    1,2-diethoxyethane 1092.19
    benzonitrile 825.25
    trioctyl phosphate 120.87
    1-bromopropane 949.48
    gamma-valerolactone 2095.45
    n-decanol 108.39
    triethyl phosphate 184.38
    4-methyl-2-pentanol 294.19
    propionitrile 1047.95
    vinylene carbonate 1019.59
    1,1,2-trichlorotrifluoroethane 1002.73
    DMS 628.05
    cumene 165.29
    2-octanol 103.75
    2-hexanone 546.84
    octyl acetate 242.08
    limonene 170.6
    1,2-dimethoxyethane 1262.92
    ethyl orthosilicate 180.79
    tributyl phosphate 182.91
    diacetone alcohol 776.46
    N,N-dimethylaniline 343.9
    acrylonitrile 1142.18
    aniline 952.45
    1,3-propanediol 698.03
    bromobenzene 1276.4
    dibromomethane 1949.44
    1,1,2,2-tetrachloroethane 2492.74
    2-methyl-cyclohexyl acetate 312.76
    tetrabutyl urea 198.61
    diisobutyl methanol 140.47
    2-phenylethanol 480.33
    styrene 427.05
    dioctyl adipate 293.5
    dimethyl sulfate 521.46
    ethyl butyrate 439.92
    methyl lactate 366.98
    butyl lactate 289.9
    diethyl carbonate 317.78
    propanediol butyl ether 387.61
    triethyl orthoformate 295.01
    p-tert-butyltoluene 135.11
    methyl 4-tert-butylbenzoate 403.25
    morpholine 2577.74
    tert-butylamine 586.49
    n-dodecanol 82.66
    dimethoxymethane 1363.22
    ethylene carbonate 920.87
    cyrene 315.89
    2-ethoxyethyl acetate 747.12
    2-ethylhexyl acetate 516.5
    1,2,4-trichlorobenzene 980.41
    4-methylpyridine 1743.51
    dibutyl ether 284.26
    2,6-dimethyl-4-heptanol 140.47
    DEF 945.82
    dimethyl isosorbide 779.33
    tetrachloroethylene 1330.02
    eugenol 370.23
    triacetin 582.83
    span 80 385.81
    1,4-butanediol 183.6
    1,1-dichloroethane 2057.62
    2-methyl-1-pentanol 336.83
    methyl formate 616.75
    2-methyl-1-butanol 496.97
    n-decane 17.14
    butyronitrile 999.36
    3,7-dimethyl-1-octanol 211.28
    1-chlorooctane 115.85
    1-chlorotetradecane 50.17
    n-nonane 14.33
    undecane 13.15
    tert-butylcyclohexane 42.74
    cyclooctane 30.7
    cyclopentanol 622.64
    tetrahydropyran 2133.43
    tert-amyl methyl ether 531.44
    2,5,8-trioxanonane 876.76
    1-hexene 194.48
    2-isopropoxyethanol 466.56
    2,2,2-trifluoroethanol 261.82
    methyl butyrate 724.26

    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