1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester

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  • Identifiers

    CAS number
    60234-72-2

    Molecular formula
    C13H22O3

    SMILES
    CCOC(=O)C1C2(O1)CC(CC(C2)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.72%
    Woody 43.01%
    Floral 35.91%
    Berry 34.33%
    Herbal 33.61%
    Sweet 30.42%
    Tobacco 30.15%
    Musk 28.88%
    Mint 28.76%
    Dry 27.49%

     

    Flavor
    Bitter 43.74%
    Fruity 40.5%
    Herbal 34.22%
    Fruit 29.51%
    Sweet 28.75%
    Woody 28.64%
    Green 27.88%
    Earthy 26.76%
    Minty 24.63%
    Camphor 24.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.49 (neutral)

    Molecular weight
    226.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 97.5 ˚C est.

  • Synonyms

    • ethyl 5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate
    • EINECS 262-113-3
    • Ethyl 5,5,7-trimethyl-1-oxaspiro(2.5)octane-2-carboxylate
    • DTXSID30866797
    • 1-Oxaspiro[2.5]octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester
    • Ethyl 3,3-(2,2,4-trimethylpentamethylene)-2,3-epoxypropionate
    • 1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester
    • RefChem:232753
    • DTXCID80815038
    • 262-113-3
    • 60234-72-2
    • SCHEMBL29827708
    • RMWIEEYTJKQJFF-UHFFFAOYSA-N
    • AKOS015257748
    • DB-308041
    • NS00012472
    • EN300-699184
    • ethyl 5,5,7-trimethyl-1-oxaspirooctane-2-carboxylate
    • ethyl5,5,7-trimethyl-1-oxaspiro[2.5]octane-2-carboxylate
    • 60234-72-2

  • Applications

    1-Oxaspiro(2.5)octane-2-carboxylic acid, 5,5,7-trimethyl-, ethyl ester (CAS 60234-72-2) is primarily used as a chemical intermediate with relevance to fragrance chemistry. In perfumery it can serve as an odorant component and may function as a light to moderate fixative depending on the formulation. In cosmetics and personal care, it is often incorporated as a fragrance ingredient to contribute distinctive notes. In household products, it may be employed for fragrance profiles in cleaners, air fresheners, and detergents. In industrial manufacturing, it is considered as a building block or functional monomer for specialty polymers and coatings/inks, enabling advanced material properties in niche formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 744.47
    methanol 771.47
    isopropanol 501.38
    water 1.73
    ethyl acetate 762.72
    n-propanol 545.25
    acetone 769.82
    n-butanol 484.16
    acetonitrile 549.79
    DMF 877.24
    toluene 278.8
    isobutanol 393.56
    1,4-dioxane 996.54
    methyl acetate 677.67
    THF 2075.42
    2-butanone 560.18
    n-pentanol 252.55
    sec-butanol 387.0
    n-hexane 20.41
    ethylene glycol 233.13
    NMP 1139.0
    cyclohexane 59.54
    DMSO 568.21
    n-butyl acetate 515.49
    n-octanol 158.93
    chloroform 1845.83
    n-propyl acetate 349.67
    acetic acid 1305.09
    dichloromethane 1413.73
    cyclohexanone 976.55
    propylene glycol 340.77
    isopropyl acetate 547.21
    DMAc 652.65
    2-ethoxyethanol 433.46
    isopentanol 409.29
    n-heptane 18.9
    ethyl formate 539.62
    1,2-dichloroethane 842.91
    n-hexanol 388.71
    2-methoxyethanol 1020.55
    isobutyl acetate 272.02
    tetrachloromethane 181.61
    n-pentyl acetate 301.29
    transcutol 1468.92
    n-heptanol 147.21
    ethylbenzene 106.68
    MIBK 398.01
    2-propoxyethanol 773.03
    tert-butanol 459.97
    MTBE 420.29
    2-butoxyethanol 344.65
    propionic acid 636.55
    o-xylene 150.85
    formic acid 594.14
    diethyl ether 414.88
    m-xylene 195.29
    p-xylene 146.34
    chlorobenzene 521.42
    dimethyl carbonate 308.31
    n-octane 7.58
    formamide 569.3
    cyclopentanone 1205.22
    2-pentanone 552.18
    anisole 304.74
    cyclopentyl methyl ether 696.08
    gamma-butyrolactone 1537.91
    1-methoxy-2-propanol 745.35
    pyridine 867.82
    3-pentanone 339.96
    furfural 1133.77
    n-dodecane 8.47
    diethylene glycol 646.33
    diisopropyl ether 143.96
    tert-amyl alcohol 365.71
    acetylacetone 731.92
    n-hexadecane 10.06
    acetophenone 298.05
    methyl propionate 543.38
    isopentyl acetate 487.49
    trichloroethylene 1875.55
    n-nonanol 139.95
    cyclohexanol 503.12
    benzyl alcohol 266.04
    2-ethylhexanol 202.96
    isooctanol 122.16
    dipropyl ether 172.24
    1,2-dichlorobenzene 441.03
    ethyl lactate 205.96
    propylene carbonate 957.67
    n-methylformamide 595.8
    2-pentanol 313.3
    n-pentane 27.39
    1-propoxy-2-propanol 458.52
    1-methoxy-2-propyl acetate 606.09
    2-(2-methoxypropoxy) propanol 335.08
    mesitylene 116.94
    ε-caprolactone 1019.96
    p-cymene 94.97
    epichlorohydrin 1591.13
    1,1,1-trichloroethane 849.07
    2-aminoethanol 404.72
    morpholine-4-carbaldehyde 1020.58
    sulfolane 1177.99
    2,2,4-trimethylpentane 25.08
    2-methyltetrahydrofuran 1195.49
    n-hexyl acetate 452.62
    isooctane 21.4
    2-(2-butoxyethoxy)ethanol 476.56
    sec-butyl acetate 278.99
    tert-butyl acetate 518.2
    decalin 31.99
    glycerin 448.2
    diglyme 722.27
    acrylic acid 632.37
    isopropyl myristate 144.64
    n-butyric acid 833.21
    acetyl acetate 624.58
    di(2-ethylhexyl) phthalate 164.55
    ethyl propionate 298.64
    nitromethane 1548.64
    1,2-diethoxyethane 376.74
    benzonitrile 406.91
    trioctyl phosphate 114.3
    1-bromopropane 390.53
    gamma-valerolactone 1525.41
    n-decanol 96.62
    triethyl phosphate 143.63
    4-methyl-2-pentanol 209.62
    propionitrile 363.6
    vinylene carbonate 796.76
    1,1,2-trichlorotrifluoroethane 1066.41
    DMS 434.29
    cumene 81.73
    2-octanol 105.12
    2-hexanone 298.23
    octyl acetate 195.12
    limonene 154.22
    1,2-dimethoxyethane 579.18
    ethyl orthosilicate 139.49
    tributyl phosphate 150.31
    diacetone alcohol 530.32
    N,N-dimethylaniline 174.54
    acrylonitrile 475.4
    aniline 392.42
    1,3-propanediol 588.18
    bromobenzene 512.94
    dibromomethane 845.82
    1,1,2,2-tetrachloroethane 1258.5
    2-methyl-cyclohexyl acetate 275.3
    tetrabutyl urea 170.44
    diisobutyl methanol 119.29
    2-phenylethanol 379.39
    styrene 135.75
    dioctyl adipate 214.15
    dimethyl sulfate 412.46
    ethyl butyrate 276.74
    methyl lactate 347.91
    butyl lactate 259.16
    diethyl carbonate 208.0
    propanediol butyl ether 378.23
    triethyl orthoformate 209.3
    p-tert-butyltoluene 97.85
    methyl 4-tert-butylbenzoate 277.36
    morpholine 1210.55
    tert-butylamine 245.47
    n-dodecanol 70.61
    dimethoxymethane 685.63
    ethylene carbonate 680.81
    cyrene 334.83
    2-ethoxyethyl acetate 479.06
    2-ethylhexyl acetate 367.15
    1,2,4-trichlorobenzene 542.51
    4-methylpyridine 766.2
    dibutyl ether 148.76
    2,6-dimethyl-4-heptanol 119.29
    DEF 533.43
    dimethyl isosorbide 585.56
    tetrachloroethylene 772.57
    eugenol 255.85
    triacetin 393.76
    span 80 320.87
    1,4-butanediol 187.97
    1,1-dichloroethane 907.03
    2-methyl-1-pentanol 238.6
    methyl formate 537.38
    2-methyl-1-butanol 361.34
    n-decane 13.92
    butyronitrile 445.23
    3,7-dimethyl-1-octanol 171.74
    1-chlorooctane 96.31
    1-chlorotetradecane 38.63
    n-nonane 12.02
    undecane 10.61
    tert-butylcyclohexane 28.56
    cyclooctane 19.09
    cyclopentanol 573.03
    tetrahydropyran 953.09
    tert-amyl methyl ether 304.74
    2,5,8-trioxanonane 445.19
    1-hexene 86.95
    2-isopropoxyethanol 300.01
    2,2,2-trifluoroethanol 505.93
    methyl butyrate 398.86

    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