8-(1,1-Dimethylethyl)-1-oxaspiro[4.5]decan-2-one

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  • Identifiers

    CAS number
    72258-83-4

    Molecular formula
    C13H22O2

    SMILES
    CC(C)(C)C1CCC2(CC1)CCC(=O)O2

  • Odor profile

    Fragrance
    Woody 82.69%
    Dry 51.33%
    Musk 49.77%
    Amber 49.53%
    Animal 40.95%
    Cedar 40.38%
    Tobacco 37.01%
    Spicy 36.83%
    Camphoreous 32.44%
    Vetiver 31.28%

     

    Flavor
    Herbal 36.68%
    Sweet 34.56%
    Minty 34.17%
    Coconut 30.33%
    Camphor 27.9%
    Woody 26.46%
    Coumarin 25.95%
    Tonka 25.36%
    Fresh 24.74%
    Musty 24.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.51 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 115.93 ˚C est.

  • Synonyms

    • 72258-83-4
    • 8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one
    • EINECS 276-543-4
    • DTXSID80222586
    • 8-(1,1-Dimethylethyl)-1-oxaspiro[4.5]decan-2-one
    • 8-tert-butyl-1-oxaspiro[4.5]decan-2-one
    • SCHEMBL3330226
    • DTXCID10145077
    • KNLQQGJLNMJBQL-UHFFFAOYSA-N
    • NS00037352
    • AF-177/10374006
    • (A+/-)-8-(tert-butyl)-1-oxaspiro[4.5]decan-2-one
    • 276-543-4

  • Applications

    8-(1,1-Dimethylethyl)-1-oxaspiro[4.5]decan-2-one (CAS 72258-83-4) is a spirocyclic lactone that is commonly used as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend scent in perfumes and personal care products. It may also serve as an odorant component or building block in fragrance syntheses for cosmetics and household products with scented formulations. In household products such as air fresheners, scented cleaners, and laundry products, the compound is used as a fragrance ingredient. In industrial manufacturing, it is often employed as an intermediate in the synthesis of more complex fragrance compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 657.85
    methanol 578.88
    isopropanol 582.53
    water 2.08
    ethyl acetate 1434.64
    n-propanol 506.88
    acetone 1219.34
    n-butanol 491.35
    acetonitrile 843.75
    DMF 1548.03
    toluene 746.25
    isobutanol 385.33
    1,4-dioxane 1769.54
    methyl acetate 1101.63
    THF 2346.16
    2-butanone 880.66
    n-pentanol 231.33
    sec-butanol 351.32
    n-hexane 37.81
    ethylene glycol 120.43
    NMP 1202.42
    cyclohexane 117.36
    DMSO 671.09
    n-butyl acetate 724.16
    n-octanol 193.08
    chloroform 3170.98
    n-propyl acetate 545.05
    acetic acid 749.13
    dichloromethane 2149.24
    cyclohexanone 1231.74
    propylene glycol 218.01
    isopropyl acetate 1077.7
    DMAc 1232.21
    2-ethoxyethanol 422.61
    isopentanol 468.22
    n-heptane 28.75
    ethyl formate 561.36
    1,2-dichloroethane 1252.93
    n-hexanol 400.07
    2-methoxyethanol 876.35
    isobutyl acetate 438.45
    tetrachloromethane 357.28
    n-pentyl acetate 390.58
    transcutol 2715.57
    n-heptanol 186.9
    ethylbenzene 283.83
    MIBK 620.8
    2-propoxyethanol 831.71
    tert-butanol 695.25
    MTBE 898.62
    2-butoxyethanol 429.19
    propionic acid 569.75
    o-xylene 369.82
    formic acid 280.06
    diethyl ether 847.52
    m-xylene 515.43
    p-xylene 376.04
    chlorobenzene 951.24
    dimethyl carbonate 579.4
    n-octane 14.45
    formamide 472.17
    cyclopentanone 1430.91
    2-pentanone 829.13
    anisole 686.73
    cyclopentyl methyl ether 973.7
    gamma-butyrolactone 1772.36
    1-methoxy-2-propanol 829.24
    pyridine 1220.2
    3-pentanone 614.48
    furfural 1369.53
    n-dodecane 16.84
    diethylene glycol 586.64
    diisopropyl ether 343.65
    tert-amyl alcohol 428.23
    acetylacetone 1309.52
    n-hexadecane 20.51
    acetophenone 567.88
    methyl propionate 958.53
    isopentyl acetate 714.85
    trichloroethylene 2603.06
    n-nonanol 187.48
    cyclohexanol 492.94
    benzyl alcohol 402.35
    2-ethylhexanol 230.89
    isooctanol 160.71
    dipropyl ether 329.63
    1,2-dichlorobenzene 822.36
    ethyl lactate 257.52
    propylene carbonate 1136.62
    n-methylformamide 706.0
    2-pentanol 345.37
    n-pentane 47.5
    1-propoxy-2-propanol 588.96
    1-methoxy-2-propyl acetate 1100.61
    2-(2-methoxypropoxy) propanol 546.79
    mesitylene 311.44
    ε-caprolactone 1189.41
    p-cymene 160.83
    epichlorohydrin 1811.75
    1,1,1-trichloroethane 1547.98
    2-aminoethanol 285.51
    morpholine-4-carbaldehyde 1524.4
    sulfolane 1273.16
    2,2,4-trimethylpentane 38.06
    2-methyltetrahydrofuran 1405.63
    n-hexyl acetate 630.1
    isooctane 38.51
    2-(2-butoxyethoxy)ethanol 761.62
    sec-butyl acetate 508.86
    tert-butyl acetate 1055.43
    decalin 60.59
    glycerin 291.07
    diglyme 1379.46
    acrylic acid 474.87
    isopropyl myristate 247.97
    n-butyric acid 866.07
    acetyl acetate 1108.81
    di(2-ethylhexyl) phthalate 228.63
    ethyl propionate 556.43
    nitromethane 1428.86
    1,2-diethoxyethane 855.55
    benzonitrile 643.23
    trioctyl phosphate 151.23
    1-bromopropane 644.56
    gamma-valerolactone 1947.6
    n-decanol 137.49
    triethyl phosphate 235.84
    4-methyl-2-pentanol 272.31
    propionitrile 621.3
    vinylene carbonate 1072.74
    1,1,2-trichlorotrifluoroethane 1050.43
    DMS 689.14
    cumene 192.34
    2-octanol 123.49
    2-hexanone 419.99
    octyl acetate 296.56
    limonene 211.67
    1,2-dimethoxyethane 857.3
    ethyl orthosilicate 231.21
    tributyl phosphate 219.21
    diacetone alcohol 757.91
    N,N-dimethylaniline 372.11
    acrylonitrile 734.09
    aniline 755.54
    1,3-propanediol 450.64
    bromobenzene 1037.52
    dibromomethane 1312.98
    1,1,2,2-tetrachloroethane 2099.41
    2-methyl-cyclohexyl acetate 400.32
    tetrabutyl urea 237.1
    diisobutyl methanol 154.51
    2-phenylethanol 470.59
    styrene 374.68
    dioctyl adipate 349.53
    dimethyl sulfate 668.32
    ethyl butyrate 469.6
    methyl lactate 411.41
    butyl lactate 317.62
    diethyl carbonate 360.97
    propanediol butyl ether 400.33
    triethyl orthoformate 358.14
    p-tert-butyltoluene 171.87
    methyl 4-tert-butylbenzoate 502.14
    morpholine 1598.42
    tert-butylamine 453.01
    n-dodecanol 103.35
    dimethoxymethane 1186.92
    ethylene carbonate 918.27
    cyrene 385.83
    2-ethoxyethyl acetate 702.53
    2-ethylhexyl acetate 540.73
    1,2,4-trichlorobenzene 998.88
    4-methylpyridine 1335.69
    dibutyl ether 296.79
    2,6-dimethyl-4-heptanol 154.51
    DEF 858.6
    dimethyl isosorbide 977.83
    tetrachloroethylene 1147.0
    eugenol 400.9
    triacetin 694.46
    span 80 432.04
    1,4-butanediol 129.93
    1,1-dichloroethane 1569.02
    2-methyl-1-pentanol 236.88
    methyl formate 553.26
    2-methyl-1-butanol 353.72
    n-decane 28.22
    butyronitrile 627.23
    3,7-dimethyl-1-octanol 242.34
    1-chlorooctane 157.16
    1-chlorotetradecane 67.02
    n-nonane 24.07
    undecane 21.19
    tert-butylcyclohexane 55.4
    cyclooctane 42.08
    cyclopentanol 522.5
    tetrahydropyran 1405.82
    tert-amyl methyl ether 525.55
    2,5,8-trioxanonane 907.34
    1-hexene 153.87
    2-isopropoxyethanol 353.81
    2,2,2-trifluoroethanol 378.61
    methyl butyrate 603.64

    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