1-Oxaspiro(4.5)decan-2-one, 8-methyl-

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  • Identifiers

    CAS number
    94201-19-1

    Molecular formula
    C10H16O2

    SMILES
    CC1CCC2(CC1)CCC(=O)O2

  • Odor profile

    Fragrance
    Coconut 66.2%
    Lactonic 64.78%
    Coumarinic 59.08%
    Creamy 53.5%
    Woody 43.9%
    Spicy 43.81%
    Animal 40.45%
    Tobacco 38.71%
    Herbal 36.06%
    Musk 35.46%

     

    Flavor
    Fruity 45.45%
    Coconut 44.02%
    Sweet 39.91%
    Minty 35.82%
    Coumarin 34.81%
    Tonka 33.44%
    Fatty 30.98%
    Creamy 29.98%
    Peach 28.05%
    Fruit 27.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.45 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 94.34 ˚C est.

  • Synonyms

    • 8-METHYL-1-OXASPIRO[4.5]DECAN-2-ONE
    • 94201-19-1
    • EINECS 303-602-4
    • 1-Oxaspiro[4.5]decan-2-one, 8-methyl-
    • 1-Oxaspiro(4.5)decan-2-one, 8-methyl-
    • DTXSID70888736
    • 8-Methyl-1-oxaspiro(4.5)decan-2-one
    • coconut decanone
    • SCHEMBL1357905
    • SCHEMBL3795302
    • SCHEMBL10988832
    • SCHEMBL14279104
    • COWIMPXRUUJKQF-UHFFFAOYSA-N
    • DTXCID901028012
    • AKOS006314591
    • cis-8-methyl-1-oxaspiro[4.5]decan-2-one
    • NS00066211
    • 303-602-4
    • 91069-37-3

  • Applications

    1-Oxaspiro(4.5)decan-2-one, 8-methyl- is a spiro-lactone that is considered an aroma ingredient with potential fixative properties in fragrance formulations. Identified by CAS 94201-19-1, in cosmetics and personal care, it is evaluated as an aroma compound and may be used as a fragrance component in products such as creams, shower gels, and perfumes. Additionally, due to its role as an organic synthesis intermediate, it may serve as an intermediate or precursor in industrial chemical manufacturing. In household and cleaning applications, it can appear as a fragrance ingredient in detergents and surface cleaners. In coatings and inks, it can be used as an odorant/fragrance additive to enhance or stabilize aroma in finishes and printed materials. Its exact use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.53
    methanol 541.19
    isopropanol 409.65
    water 0.83
    ethyl acetate 607.48
    n-propanol 417.08
    acetone 809.9
    n-butanol 338.04
    acetonitrile 536.68
    DMF 859.51
    toluene 435.83
    isobutanol 299.16
    1,4-dioxane 981.02
    methyl acetate 683.97
    THF 1106.17
    2-butanone 718.73
    n-pentanol 207.65
    sec-butanol 298.75
    n-hexane 22.24
    ethylene glycol 129.03
    NMP 645.31
    cyclohexane 47.47
    DMSO 894.94
    n-butyl acetate 383.06
    n-octanol 132.74
    chloroform 2265.21
    n-propyl acetate 323.36
    acetic acid 368.22
    dichloromethane 1582.83
    cyclohexanone 747.75
    propylene glycol 216.89
    isopropyl acetate 376.49
    DMAc 700.25
    2-ethoxyethanol 336.17
    isopentanol 337.29
    n-heptane 11.3
    ethyl formate 374.27
    1,2-dichloroethane 850.96
    n-hexanol 251.35
    2-methoxyethanol 624.27
    isobutyl acetate 226.97
    tetrachloromethane 199.2
    n-pentyl acetate 223.39
    transcutol 1687.19
    n-heptanol 118.05
    ethylbenzene 199.83
    MIBK 323.16
    2-propoxyethanol 487.94
    tert-butanol 451.13
    MTBE 425.99
    2-butoxyethanol 274.37
    propionic acid 436.22
    o-xylene 226.59
    formic acid 154.64
    diethyl ether 381.15
    m-xylene 259.32
    p-xylene 274.79
    chlorobenzene 659.02
    dimethyl carbonate 254.64
    n-octane 6.26
    formamide 290.24
    cyclopentanone 882.54
    2-pentanone 492.38
    anisole 490.76
    cyclopentyl methyl ether 418.27
    gamma-butyrolactone 1000.41
    1-methoxy-2-propanol 524.15
    pyridine 998.72
    3-pentanone 372.58
    furfural 990.55
    n-dodecane 7.94
    diethylene glycol 362.16
    diisopropyl ether 116.91
    tert-amyl alcohol 315.19
    acetylacetone 625.26
    n-hexadecane 9.67
    acetophenone 415.85
    methyl propionate 467.72
    isopentyl acetate 355.44
    trichloroethylene 1807.67
    n-nonanol 118.45
    cyclohexanol 288.65
    benzyl alcohol 347.92
    2-ethylhexanol 140.64
    isooctanol 103.42
    dipropyl ether 129.91
    1,2-dichlorobenzene 551.17
    ethyl lactate 168.6
    propylene carbonate 583.19
    n-methylformamide 533.15
    2-pentanol 211.02
    n-pentane 21.97
    1-propoxy-2-propanol 326.83
    1-methoxy-2-propyl acetate 436.92
    2-(2-methoxypropoxy) propanol 340.31
    mesitylene 154.72
    ε-caprolactone 676.85
    p-cymene 100.07
    epichlorohydrin 1145.5
    1,1,1-trichloroethane 834.94
    2-aminoethanol 277.21
    morpholine-4-carbaldehyde 781.29
    sulfolane 910.81
    2,2,4-trimethylpentane 18.33
    2-methyltetrahydrofuran 710.09
    n-hexyl acetate 370.83
    isooctane 17.65
    2-(2-butoxyethoxy)ethanol 464.43
    sec-butyl acetate 247.0
    tert-butyl acetate 363.09
    decalin 32.01
    glycerin 260.89
    diglyme 783.23
    acrylic acid 381.8
    isopropyl myristate 131.17
    n-butyric acid 488.86
    acetyl acetate 397.98
    di(2-ethylhexyl) phthalate 149.03
    ethyl propionate 296.81
    nitromethane 807.09
    1,2-diethoxyethane 430.37
    benzonitrile 551.42
    trioctyl phosphate 92.71
    1-bromopropane 444.07
    gamma-valerolactone 1093.02
    n-decanol 87.84
    triethyl phosphate 122.58
    4-methyl-2-pentanol 160.41
    propionitrile 481.21
    vinylene carbonate 603.28
    1,1,2-trichlorotrifluoroethane 646.91
    DMS 389.16
    cumene 135.13
    2-octanol 84.21
    2-hexanone 326.32
    octyl acetate 167.48
    limonene 115.59
    1,2-dimethoxyethane 583.86
    ethyl orthosilicate 112.45
    tributyl phosphate 133.0
    diacetone alcohol 397.03
    N,N-dimethylaniline 266.84
    acrylonitrile 646.83
    aniline 510.34
    1,3-propanediol 353.48
    bromobenzene 712.85
    dibromomethane 989.16
    1,1,2,2-tetrachloroethane 1373.34
    2-methyl-cyclohexyl acetate 195.69
    tetrabutyl urea 155.17
    diisobutyl methanol 91.16
    2-phenylethanol 327.25
    styrene 285.39
    dioctyl adipate 193.83
    dimethyl sulfate 365.54
    ethyl butyrate 229.66
    methyl lactate 255.63
    butyl lactate 220.3
    diethyl carbonate 178.16
    propanediol butyl ether 319.34
    triethyl orthoformate 155.11
    p-tert-butyltoluene 98.31
    methyl 4-tert-butylbenzoate 299.72
    morpholine 957.5
    tert-butylamine 266.09
    n-dodecanol 65.12
    dimethoxymethane 515.82
    ethylene carbonate 476.35
    cyrene 260.12
    2-ethoxyethyl acetate 377.77
    2-ethylhexyl acetate 267.71
    1,2,4-trichlorobenzene 668.26
    4-methylpyridine 933.45
    dibutyl ether 155.64
    2,6-dimethyl-4-heptanol 91.16
    DEF 417.46
    dimethyl isosorbide 475.38
    tetrachloroethylene 769.09
    eugenol 301.9
    triacetin 393.6
    span 80 279.28
    1,4-butanediol 131.97
    1,1-dichloroethane 999.53
    2-methyl-1-pentanol 222.28
    methyl formate 381.0
    2-methyl-1-butanol 271.11
    n-decane 12.71
    butyronitrile 439.05
    3,7-dimethyl-1-octanol 171.07
    1-chlorooctane 86.02
    1-chlorotetradecane 34.38
    n-nonane 11.11
    undecane 9.71
    tert-butylcyclohexane 30.18
    cyclooctane 16.62
    cyclopentanol 336.12
    tetrahydropyran 720.35
    tert-amyl methyl ether 255.24
    2,5,8-trioxanonane 535.5
    1-hexene 113.4
    2-isopropoxyethanol 259.48
    2,2,2-trifluoroethanol 175.87
    methyl butyrate 371.79

    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