1-Oxaspiro[4.5]decan-2-one

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  • Identifiers

    CAS number
    699-61-6

    Molecular formula
    C9H14O2

    SMILES
    C1CCC2(CC1)CCC(=O)O2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Coconut 65.44%
    Coumarinic 62.16%
    Lactonic 59.19%
    Creamy 52.81%
    Woody 49.07%
    Sweet 42.51%
    Spicy 41.32%
    Tobacco 40.85%
    Animal 38.78%
    Musk 36.75%

     

    Flavor
    Coconut 45.37%
    Sweet 41.82%
    Fruity 39.17%
    Fatty 35.94%
    Tonka 35.01%
    Coumarin 34.94%
    Creamy 33.83%
    Buttery 31.24%
    Minty 29.83%
    Peach 29.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.47 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    284°C

    Flash point

    • 95.33 ˚C est.

  • Synonyms

    • 1-oxaspiro[4.5]decan-2-one
    • 699-61-6
    • 1-OXASPIRO(4,5)DECAN-2-ONE
    • 1-Oxaspiro(4.5)decan-2-one
    • BRN 0119536
    • 1-Oxa-spiro[4.5]decan-2-one
    • MFCD00459846
    • DTXSID2052445
    • 5-17-09-00204 (Beilstein Handbook Reference)
    • Cyclohexane-1-spiro-4-butyrolactone
    • Cyclohexanepropanoic acid, 1-hydroxy-, .gamma.-lactone
    • Cyclohexanepropionic acid, 1-hydroxy-, .gamma.-lactone
    • 1-Oxa-spiro(4.5)decan-2-one
    • gamma,gamma-Pentamethylen-gamma-butyrolacton [German]
    • gamma,gamma-Pentamethylen-gamma-butyrolacton
    • 1-oxaspiro[4.5]decan-2-on
    • SCHEMBL2796856
    • DTXCID4031017
    • STK090395
    • AKOS005394179
    • PB43309
    • AS-58665
    • SY321654
    • DB-259781
    • CS-0155309
    • EN300-1296851
    • .gamma.,.gamma.-Pentamethylen-.gamma.-butyrolacton
    • Cyclohexanepropanoic acid, 1-hydroxy-, gamma-lactone
    • Cyclohexanepropionic acid, 1-hydroxy-, gamma-lactone
    • 478-240-4

  • Applications

    1-Oxaspiro[4.5]decan-2-one (CAS 699-61-6) is used as a fragrance ingredient with potential as a fixative in perfumery; it is also evaluated as an intermediate in the synthesis of specialty fragrance materials for cosmetics and personal care; additionally, it may be employed in household products and cleaning formulations as an odorant additive; in industrial manufacturing it serves as an intermediate for the production of fragrance-related materials and additives for coatings and inks; in coatings and inks applications, it can be used to impart a distinctive aroma. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 501.45
    methanol 654.54
    isopropanol 456.83
    water 2.12
    ethyl acetate 888.83
    n-propanol 452.88
    acetone 1262.51
    n-butanol 338.15
    acetonitrile 988.54
    DMF 1427.86
    toluene 426.17
    isobutanol 325.79
    1,4-dioxane 1272.03
    methyl acetate 869.13
    THF 1629.25
    2-butanone 892.74
    n-pentanol 203.45
    sec-butanol 336.97
    n-hexane 29.53
    ethylene glycol 169.82
    NMP 1277.9
    cyclohexane 71.0
    DMSO 1438.59
    n-butyl acetate 372.62
    n-octanol 171.96
    chloroform 3182.32
    n-propyl acetate 349.81
    acetic acid 701.26
    dichloromethane 2597.66
    cyclohexanone 1216.57
    propylene glycol 216.76
    isopropyl acetate 547.85
    DMAc 974.87
    2-ethoxyethanol 352.39
    isopentanol 310.09
    n-heptane 22.4
    ethyl formate 481.85
    1,2-dichloroethane 1286.73
    n-hexanol 243.31
    2-methoxyethanol 690.87
    isobutyl acetate 238.57
    tetrachloromethane 265.19
    n-pentyl acetate 300.15
    transcutol 1622.02
    n-heptanol 133.68
    ethylbenzene 184.64
    MIBK 403.26
    2-propoxyethanol 506.29
    tert-butanol 480.44
    MTBE 436.91
    2-butoxyethanol 290.72
    propionic acid 662.02
    o-xylene 230.66
    formic acid 242.04
    diethyl ether 482.64
    m-xylene 264.92
    p-xylene 252.25
    chlorobenzene 792.99
    dimethyl carbonate 393.21
    n-octane 14.14
    formamide 465.4
    cyclopentanone 1587.07
    2-pentanone 643.89
    anisole 473.37
    cyclopentyl methyl ether 626.52
    gamma-butyrolactone 1928.5
    1-methoxy-2-propanol 617.25
    pyridine 1199.0
    3-pentanone 532.1
    furfural 1320.53
    n-dodecane 17.97
    diethylene glycol 409.53
    diisopropyl ether 159.1
    tert-amyl alcohol 321.18
    acetylacetone 976.37
    n-hexadecane 21.33
    acetophenone 434.5
    methyl propionate 714.44
    isopentyl acetate 332.03
    trichloroethylene 2403.67
    n-nonanol 147.22
    cyclohexanol 385.67
    benzyl alcohol 315.54
    2-ethylhexanol 143.74
    isooctanol 115.31
    dipropyl ether 174.21
    1,2-dichlorobenzene 647.75
    ethyl lactate 188.81
    propylene carbonate 932.38
    n-methylformamide 801.47
    2-pentanol 237.7
    n-pentane 29.48
    1-propoxy-2-propanol 331.5
    1-methoxy-2-propyl acetate 441.01
    2-(2-methoxypropoxy) propanol 336.03
    mesitylene 172.64
    ε-caprolactone 996.21
    p-cymene 103.82
    epichlorohydrin 1703.48
    1,1,1-trichloroethane 1166.83
    2-aminoethanol 304.47
    morpholine-4-carbaldehyde 1149.02
    sulfolane 1790.24
    2,2,4-trimethylpentane 23.87
    2-methyltetrahydrofuran 984.12
    n-hexyl acetate 485.56
    isooctane 22.72
    2-(2-butoxyethoxy)ethanol 473.55
    sec-butyl acetate 273.91
    tert-butyl acetate 484.24
    decalin 45.02
    glycerin 314.73
    diglyme 818.43
    acrylic acid 614.59
    isopropyl myristate 168.31
    n-butyric acid 665.44
    acetyl acetate 613.5
    di(2-ethylhexyl) phthalate 164.49
    ethyl propionate 359.9
    nitromethane 1564.93
    1,2-diethoxyethane 435.05
    benzonitrile 611.03
    trioctyl phosphate 115.29
    1-bromopropane 570.26
    gamma-valerolactone 1593.9
    n-decanol 108.29
    triethyl phosphate 141.12
    4-methyl-2-pentanol 158.34
    propionitrile 683.95
    vinylene carbonate 847.46
    1,1,2-trichlorotrifluoroethane 869.09
    DMS 491.87
    cumene 124.36
    2-octanol 105.61
    2-hexanone 353.04
    octyl acetate 213.55
    limonene 142.56
    1,2-dimethoxyethane 639.49
    ethyl orthosilicate 125.08
    tributyl phosphate 153.72
    diacetone alcohol 470.42
    N,N-dimethylaniline 256.84
    acrylonitrile 956.69
    aniline 510.76
    1,3-propanediol 371.53
    bromobenzene 888.4
    dibromomethane 1513.46
    1,1,2,2-tetrachloroethane 1814.67
    2-methyl-cyclohexyl acetate 220.48
    tetrabutyl urea 181.47
    diisobutyl methanol 101.38
    2-phenylethanol 287.06
    styrene 270.71
    dioctyl adipate 247.61
    dimethyl sulfate 623.29
    ethyl butyrate 248.87
    methyl lactate 339.82
    butyl lactate 234.36
    diethyl carbonate 192.2
    propanediol butyl ether 323.84
    triethyl orthoformate 168.73
    p-tert-butyltoluene 105.91
    methyl 4-tert-butylbenzoate 366.03
    morpholine 1141.82
    tert-butylamine 275.04
    n-dodecanol 83.59
    dimethoxymethane 743.4
    ethylene carbonate 708.63
    cyrene 294.82
    2-ethoxyethyl acetate 452.9
    2-ethylhexyl acetate 249.02
    1,2,4-trichlorobenzene 762.51
    4-methylpyridine 1031.7
    dibutyl ether 213.86
    2,6-dimethyl-4-heptanol 101.38
    DEF 632.38
    dimethyl isosorbide 564.32
    tetrachloroethylene 1033.67
    eugenol 308.38
    triacetin 495.13
    span 80 306.83
    1,4-butanediol 139.54
    1,1-dichloroethane 1406.71
    2-methyl-1-pentanol 189.25
    methyl formate 615.34
    2-methyl-1-butanol 266.46
    n-decane 27.44
    butyronitrile 525.56
    3,7-dimethyl-1-octanol 176.97
    1-chlorooctane 138.36
    1-chlorotetradecane 57.67
    n-nonane 24.93
    undecane 21.57
    tert-butylcyclohexane 41.08
    cyclooctane 25.27
    cyclopentanol 516.82
    tetrahydropyran 950.47
    tert-amyl methyl ether 278.8
    2,5,8-trioxanonane 557.44
    1-hexene 131.08
    2-isopropoxyethanol 274.02
    2,2,2-trifluoroethanol 315.83
    methyl butyrate 446.41

    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