Epoxyoxophorone

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  • Identifiers

    CAS number
    38284-11-6

    Molecular formula
    C9H12O3

    SMILES
    CC1(CC(=O)C2C(C1=O)(O2)C)C

  • Odor profile

    Fragrance
    Sweet 80.56%
    Caramellic 49.34%
    Tobacco 43.94%
    Woody 41.65%
    Burnt 36.16%
    Camphoreous 34.88%
    Tea 33.57%
    Hay 31.52%
    Mint 31.41%
    Citrus 29.15%

     

    Flavor
    Sweet 60.07%
    Tobacco 45.33%
    Fruity 40.07%
    Bitter 39.51%
    Caramel 38.59%
    Woody 37.87%
    Herbal 28.29%
    Sugar 26.29%
    Musty 26.12%
    Maple 25.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.45 (neutral)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    279°C

    Flash point

    • 110.24 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • EPOXYOXOPHORONE
    • (+/-)-Epoxyoxophorone
    • JR8FH7QZ8I
    • Epoxyoxophorone, (+/-)-
    • 38284-11-6
    • FEMA no. 4109
    • UNII-JR8FH7QZ8I
    • 1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptane-2,5-dione
    • 3,5,5-Trimethyl-2,3-epoxycyclohexane-1,4-dione
    • 2,3-Epoxy-3,5,5-trimethyl-1,4-cyclohexanedione
    • 2,3-Oxido-2,6,6-trimethyl-1,4-cyclohexanedione
    • EPOXYOXOPHORONE [FHFI]
    • 7-Oxabicyclo(4.1.0)heptane-2,5-dione, 1,3,3-trimethyl-
    • 1,3,3-Trimethyl-7-oxabicyclo(4.1.0)heptane-2,5-dione
    • 7-Oxabicyclo[4.1.0]heptane-2,5-dione, 1,3,3-trimethyl-
    • oxoisophoroneoxide
    • DTXSID9021687
    • SCHEMBL11611617
    • CHEBI:173766
    • 1,3,3-Trimethyl-7-oxabicyclo-[4.1.0]-heptane-2,5-dione
    • NS00022129
    • 3,5,5-Trimethyl-2,3-epoxy-cyclohexane-1,4-dione
    • Q27281650
    • 1,3,3-Trimethyl-7-oxabicyclo-[4.1.0]heptane-2,5-dione
    • 609-540-7

  • Applications

    Epoxyoxophorone (CAS 38284-11-6) is primarily used as an intermediate in the production of epoxy resins and specialty polymers; it may act as a crosslinking agent in formulations for coatings, inks, and adhesives, helping to improve cure, adhesion, and heat resistance of the resulting films and bonds; it is also employed in electronics-oriented encapsulation/potting systems to protect assemblies; in addition, it can serve as a building block for the synthesis of more complex organic compounds used in industrial epoxy and specialty plastic manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.53
    methanol 196.47
    isopropanol 65.91
    water 9.54
    ethyl acetate 142.52
    n-propanol 74.58
    acetone 185.84
    n-butanol 65.75
    acetonitrile 210.23
    DMF 277.43
    toluene 65.38
    isobutanol 51.98
    1,4-dioxane 198.79
    methyl acetate 146.57
    THF 307.72
    2-butanone 117.46
    n-pentanol 53.82
    sec-butanol 56.49
    n-hexane 8.01
    ethylene glycol 73.53
    NMP 249.3
    cyclohexane 10.13
    DMSO 187.57
    n-butyl acetate 78.91
    n-octanol 38.46
    chloroform 335.3
    n-propyl acetate 94.08
    acetic acid 274.47
    dichloromethane 302.79
    cyclohexanone 150.4
    propylene glycol 46.2
    isopropyl acetate 95.59
    DMAc 173.51
    2-ethoxyethanol 137.09
    isopentanol 55.79
    n-heptane 7.7
    ethyl formate 114.4
    1,2-dichloroethane 155.34
    n-hexanol 62.04
    2-methoxyethanol 235.79
    isobutyl acetate 61.86
    tetrachloromethane 56.26
    n-pentyl acetate 59.89
    transcutol 235.37
    n-heptanol 35.45
    ethylbenzene 40.09
    MIBK 84.42
    2-propoxyethanol 154.48
    tert-butanol 71.14
    MTBE 69.11
    2-butoxyethanol 76.12
    propionic acid 105.89
    o-xylene 45.17
    formic acid 255.88
    diethyl ether 99.32
    m-xylene 56.02
    p-xylene 51.09
    chlorobenzene 90.79
    dimethyl carbonate 96.51
    n-octane 3.78
    formamide 281.68
    cyclopentanone 214.09
    2-pentanone 116.49
    anisole 96.37
    cyclopentyl methyl ether 127.02
    gamma-butyrolactone 296.28
    1-methoxy-2-propanol 142.29
    pyridine 153.41
    3-pentanone 90.58
    furfural 263.8
    n-dodecane 3.94
    diethylene glycol 166.69
    diisopropyl ether 38.23
    tert-amyl alcohol 58.68
    acetylacetone 177.83
    n-hexadecane 4.48
    acetophenone 100.49
    methyl propionate 121.38
    isopentyl acetate 67.33
    trichloroethylene 353.08
    n-nonanol 35.19
    cyclohexanol 60.69
    benzyl alcohol 76.84
    2-ethylhexanol 39.02
    isooctanol 30.11
    dipropyl ether 50.64
    1,2-dichlorobenzene 94.41
    ethyl lactate 61.38
    propylene carbonate 162.57
    n-methylformamide 200.19
    2-pentanol 49.24
    n-pentane 9.02
    1-propoxy-2-propanol 88.14
    1-methoxy-2-propyl acetate 102.35
    2-(2-methoxypropoxy) propanol 81.31
    mesitylene 34.41
    ε-caprolactone 148.31
    p-cymene 26.49
    epichlorohydrin 279.29
    1,1,1-trichloroethane 147.53
    2-aminoethanol 81.16
    morpholine-4-carbaldehyde 239.45
    sulfolane 243.76
    2,2,4-trimethylpentane 6.02
    2-methyltetrahydrofuran 164.07
    n-hexyl acetate 84.57
    isooctane 5.77
    2-(2-butoxyethoxy)ethanol 99.03
    sec-butyl acetate 65.97
    tert-butyl acetate 99.69
    decalin 9.35
    glycerin 97.8
    diglyme 181.33
    acrylic acid 129.34
    isopropyl myristate 35.32
    n-butyric acid 112.69
    acetyl acetate 134.03
    di(2-ethylhexyl) phthalate 39.67
    ethyl propionate 94.08
    nitromethane 443.77
    1,2-diethoxyethane 83.33
    benzonitrile 106.04
    trioctyl phosphate 28.86
    1-bromopropane 72.89
    gamma-valerolactone 264.3
    n-decanol 26.82
    triethyl phosphate 42.93
    4-methyl-2-pentanol 36.81
    propionitrile 99.25
    vinylene carbonate 175.73
    1,1,2-trichlorotrifluoroethane 197.36
    DMS 103.28
    cumene 28.65
    2-octanol 26.23
    2-hexanone 82.35
    octyl acetate 43.67
    limonene 32.28
    1,2-dimethoxyethane 201.16
    ethyl orthosilicate 39.91
    tributyl phosphate 33.69
    diacetone alcohol 103.05
    N,N-dimethylaniline 62.14
    acrylonitrile 151.08
    aniline 75.05
    1,3-propanediol 104.61
    bromobenzene 92.14
    dibromomethane 171.28
    1,1,2,2-tetrachloroethane 210.22
    2-methyl-cyclohexyl acetate 61.25
    tetrabutyl urea 42.77
    diisobutyl methanol 27.05
    2-phenylethanol 80.72
    styrene 45.97
    dioctyl adipate 47.99
    dimethyl sulfate 139.3
    ethyl butyrate 69.43
    methyl lactate 79.55
    butyl lactate 50.26
    diethyl carbonate 57.18
    propanediol butyl ether 64.66
    triethyl orthoformate 52.47
    p-tert-butyltoluene 25.81
    methyl 4-tert-butylbenzoate 78.92
    morpholine 191.57
    tert-butylamine 43.23
    n-dodecanol 21.15
    dimethoxymethane 211.32
    ethylene carbonate 136.21
    cyrene 105.37
    2-ethoxyethyl acetate 90.84
    2-ethylhexyl acetate 55.72
    1,2,4-trichlorobenzene 108.68
    4-methylpyridine 130.57
    dibutyl ether 38.99
    2,6-dimethyl-4-heptanol 27.05
    DEF 119.35
    dimethyl isosorbide 137.17
    tetrachloroethylene 153.15
    eugenol 78.23
    triacetin 88.34
    span 80 61.78
    1,4-butanediol 52.4
    1,1-dichloroethane 143.07
    2-methyl-1-pentanol 48.99
    methyl formate 204.99
    2-methyl-1-butanol 52.2
    n-decane 6.52
    butyronitrile 91.86
    3,7-dimethyl-1-octanol 36.84
    1-chlorooctane 27.4
    1-chlorotetradecane 11.72
    n-nonane 5.56
    undecane 4.9
    tert-butylcyclohexane 8.54
    cyclooctane 5.61
    cyclopentanol 78.06
    tetrahydropyran 121.67
    tert-amyl methyl ether 61.18
    2,5,8-trioxanonane 125.86
    1-hexene 28.71
    2-isopropoxyethanol 93.61
    2,2,2-trifluoroethanol 153.61
    methyl butyrate 108.71

    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