1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans-

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  • Identifiers

    CAS number
    4625-90-5

    Molecular formula
    C12H20O2

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

  • Odor profile

    Fragrance
    Woody 70.04%
    Herbal 55.93%
    Spicy 53.48%
    Lactonic 51.45%
    Coconut 38.31%
    Mint 37.09%
    Animal 37.05%
    Dry 33.28%
    Celery 33.02%
    Tobacco 31.75%

     

    Flavor
    Coconut 49.96%
    Sweet 43.54%
    Fruity 41.68%
    Peach 39.83%
    Creamy 37.42%
    Tonka 34.02%
    Fatty 33.3%
    Minty 32.82%
    Coumarin 32.27%
    Herbal 30.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.8 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 109.19 ˚C est.

  • Synonyms

    • 4625-90-5
    • 1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans-
    • SCHEMBL3023536
    • SCHEMBL14836255
    • SCHEMBL14836424
    • DTXSID70863427
    • VPSQYLNVIBQLTO-UMSPYCQHSA-N
    • DTXSID801021225
    • 8-Isopropyl-1-oxaspiro[4.5]decan-2-one
    • NS00012765
    • 8-(Propan-2-yl)-1-oxaspiro[4.5]decan-2-one
    • (5r,8r)-8-Isopropyl-1-oxaspiro[4.5]decan-2-one

  • Applications

    1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans- (CAS 4625-90-5) is a spirocyclic lactone that is primarily encountered as an aroma chemical and fragrance intermediate in perfumery and cosmetics, where it contributes to distinctive scent profiles and may function as a subtle fixative in formulations. It is also used as a chemical intermediate in the synthesis of specialty compounds for polymers and coatings, providing a building block for lactone-containing materials. In addition, it may be evaluated as an odorant in household products such as cleaners and air fresheners. The compound can serve as a synthetic intermediate in pharmaceutical development, enabling routes to more complex molecules. Overall, use is subject to formulation goals and regulatory constraints in each sector.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1302.62
    methanol 1337.59
    isopropanol 1145.94
    water 1.37
    ethyl acetate 2294.31
    n-propanol 993.67
    acetone 2061.89
    n-butanol 940.14
    acetonitrile 1112.44
    DMF 1558.93
    toluene 936.72
    isobutanol 674.22
    1,4-dioxane 3354.53
    methyl acetate 1534.88
    THF 3343.34
    2-butanone 1366.7
    n-pentanol 368.82
    sec-butanol 565.88
    n-hexane 39.85
    ethylene glycol 162.11
    NMP 954.36
    cyclohexane 145.44
    DMSO 980.82
    n-butyl acetate 980.46
    n-octanol 163.22
    chloroform 4166.59
    n-propyl acetate 709.95
    acetic acid 876.43
    dichloromethane 3101.3
    cyclohexanone 1652.32
    propylene glycol 265.92
    isopropyl acetate 1547.78
    DMAc 1109.78
    2-ethoxyethanol 664.0
    isopentanol 840.33
    n-heptane 22.03
    ethyl formate 855.14
    1,2-dichloroethane 1952.69
    n-hexanol 537.47
    2-methoxyethanol 1458.91
    isobutyl acetate 520.26
    tetrachloromethane 395.7
    n-pentyl acetate 424.12
    transcutol 3709.63
    n-heptanol 181.81
    ethylbenzene 267.21
    MIBK 802.97
    2-propoxyethanol 1148.55
    tert-butanol 1276.54
    MTBE 1591.39
    2-butoxyethanol 464.99
    propionic acid 729.41
    o-xylene 365.1
    formic acid 304.12
    diethyl ether 1773.42
    m-xylene 523.38
    p-xylene 355.99
    chlorobenzene 1133.57
    dimethyl carbonate 564.8
    n-octane 10.87
    formamide 559.39
    cyclopentanone 1719.52
    2-pentanone 1240.27
    anisole 732.09
    cyclopentyl methyl ether 1228.26
    gamma-butyrolactone 2074.57
    1-methoxy-2-propanol 1220.66
    pyridine 1763.66
    3-pentanone 846.96
    furfural 1513.82
    n-dodecane 13.34
    diethylene glycol 780.24
    diisopropyl ether 460.9
    tert-amyl alcohol 593.74
    acetylacetone 1691.6
    n-hexadecane 16.52
    acetophenone 536.39
    methyl propionate 1288.65
    isopentyl acetate 862.69
    trichloroethylene 3312.6
    n-nonanol 159.79
    cyclohexanol 714.24
    benzyl alcohol 451.27
    2-ethylhexanol 246.14
    isooctanol 150.79
    dipropyl ether 375.12
    1,2-dichlorobenzene 850.36
    ethyl lactate 251.72
    propylene carbonate 1180.01
    n-methylformamide 921.56
    2-pentanol 521.43
    n-pentane 53.85
    1-propoxy-2-propanol 703.19
    1-methoxy-2-propyl acetate 1270.25
    2-(2-methoxypropoxy) propanol 541.64
    mesitylene 296.45
    ε-caprolactone 1523.05
    p-cymene 137.75
    epichlorohydrin 2404.78
    1,1,1-trichloroethane 1773.81
    2-aminoethanol 420.46
    morpholine-4-carbaldehyde 1568.84
    sulfolane 1281.97
    2,2,4-trimethylpentane 36.36
    2-methyltetrahydrofuran 2047.28
    n-hexyl acetate 616.91
    isooctane 40.17
    2-(2-butoxyethoxy)ethanol 845.25
    sec-butyl acetate 620.62
    tert-butyl acetate 1319.43
    decalin 54.85
    glycerin 354.93
    diglyme 1579.67
    acrylic acid 510.2
    isopropyl myristate 230.99
    n-butyric acid 1323.97
    acetyl acetate 1323.74
    di(2-ethylhexyl) phthalate 211.73
    ethyl propionate 663.7
    nitromethane 1631.2
    1,2-diethoxyethane 1278.11
    benzonitrile 740.98
    trioctyl phosphate 134.01
    1-bromopropane 1011.5
    gamma-valerolactone 2359.43
    n-decanol 120.51
    triethyl phosphate 210.64
    4-methyl-2-pentanol 355.76
    propionitrile 999.76
    vinylene carbonate 1072.39
    1,1,2-trichlorotrifluoroethane 1097.69
    DMS 709.6
    cumene 171.54
    2-octanol 115.73
    2-hexanone 542.83
    octyl acetate 276.15
    limonene 187.79
    1,2-dimethoxyethane 1355.0
    ethyl orthosilicate 215.34
    tributyl phosphate 205.14
    diacetone alcohol 928.74
    N,N-dimethylaniline 339.15
    acrylonitrile 986.92
    aniline 985.23
    1,3-propanediol 797.87
    bromobenzene 1235.89
    dibromomethane 1899.63
    1,1,2,2-tetrachloroethane 2541.22
    2-methyl-cyclohexyl acetate 361.4
    tetrabutyl urea 211.38
    diisobutyl methanol 160.62
    2-phenylethanol 505.32
    styrene 394.91
    dioctyl adipate 322.85
    dimethyl sulfate 576.16
    ethyl butyrate 524.91
    methyl lactate 398.93
    butyl lactate 307.54
    diethyl carbonate 367.45
    propanediol butyl ether 399.47
    triethyl orthoformate 360.38
    p-tert-butyltoluene 148.18
    methyl 4-tert-butylbenzoate 423.67
    morpholine 2881.81
    tert-butylamine 751.24
    n-dodecanol 91.62
    dimethoxymethane 1663.14
    ethylene carbonate 1037.85
    cyrene 337.56
    2-ethoxyethyl acetate 881.45
    2-ethylhexyl acetate 611.26
    1,2,4-trichlorobenzene 1009.05
    4-methylpyridine 1772.31
    dibutyl ether 321.32
    2,6-dimethyl-4-heptanol 160.62
    DEF 1073.11
    dimethyl isosorbide 902.39
    tetrachloroethylene 1390.36
    eugenol 365.63
    triacetin 633.02
    span 80 421.66
    1,4-butanediol 184.04
    1,1-dichloroethane 2182.95
    2-methyl-1-pentanol 342.77
    methyl formate 648.39
    2-methyl-1-butanol 557.6
    n-decane 21.21
    butyronitrile 1055.91
    3,7-dimethyl-1-octanol 234.41
    1-chlorooctane 128.79
    1-chlorotetradecane 57.13
    n-nonane 17.23
    undecane 16.35
    tert-butylcyclohexane 49.88
    cyclooctane 40.5
    cyclopentanol 699.89
    tetrahydropyran 2596.71
    tert-amyl methyl ether 658.85
    2,5,8-trioxanonane 975.99
    1-hexene 196.99
    2-isopropoxyethanol 515.21
    2,2,2-trifluoroethanol 343.23
    methyl butyrate 760.93

    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