7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-

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  • Identifiers

    CAS number
    35178-55-3

    Molecular formula
    C10H14O2

    SMILES
    CC(=C1CCC2(C(C1=O)O2)C)C

  • Odor profile

    Fragrance
    Mint 70.04%
    Herbal 65.14%
    Camphoreous 46.29%
    Sweet 38.58%
    Woody 36.7%
    Tobacco 36.03%
    Fresh 35.72%
    Cooling 32.62%
    Spicy 31.22%
    Citrus 30.69%

     

    Flavor
    Minty 61.14%
    Herbal 52.8%
    Mint 27.71%
    Celery 27.21%
    Fresh 26.99%
    Spice 26.58%
    Spearmint 23.9%
    Spicy 22.69%
    Basil 21.75%
    Peppermint 21.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.74 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    250°C

    Melting point expt.

    • 27.5 °C

    Flash point

    • 110.17 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Piperitenone oxide
    • 35178-55-3
    • 6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
    • 1,2-Epoxy-p-menth-4(8)-en-3-one
    • 7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-
    • [1S,6S,(+)]-6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptane-2-one
    • P-Menth-4(8)-en-3-one, 1,2-epoxy-
    • SCHEMBL3504077
    • DTXSID00865752
    • 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo(4.1.0)heptan-2-one
    • 7-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethylidene)-
    • DA-48922
    • 2,3-Epoxy-6-isopropylidene-3-methylcyclohexanone
    • 6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one, 9CI
    • 6-METHYL-3-(PROPAN-2-YLIDENE)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE

  • Applications

    7-Oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)- (CAS 35178-55-3) is used primarily as an intermediate and odorant in fragrance chemistry, where it can function as a fixative or building block for more complex aroma compounds; it may be used in cosmetics and personal care formulations as a fragrance ingredient, in household products to contribute specific notes, and as a specialty precursor in polymers/plastics or coatings for aroma-containing formulations; in industrial manufacturing it is often evaluated as a chiral building block in the synthesis of fragrance-related intermediates and potentially in pharmaceutical or agrochemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.48
    methanol 111.49
    isopropanol 64.14
    water 1.57
    ethyl acetate 60.4
    n-propanol 65.75
    acetone 71.18
    n-butanol 61.75
    acetonitrile 92.31
    DMF 87.59
    toluene 51.24
    isobutanol 47.67
    1,4-dioxane 161.29
    methyl acetate 77.64
    THF 139.52
    2-butanone 69.17
    n-pentanol 48.03
    sec-butanol 55.23
    n-hexane 3.16
    ethylene glycol 30.47
    NMP 81.08
    cyclohexane 9.67
    DMSO 52.23
    n-butyl acetate 57.29
    n-octanol 34.17
    chloroform 236.89
    n-propyl acetate 47.99
    acetic acid 80.59
    dichloromethane 171.09
    cyclohexanone 97.89
    propylene glycol 34.91
    isopropyl acetate 40.2
    DMAc 83.47
    2-ethoxyethanol 80.79
    isopentanol 50.28
    n-heptane 4.09
    ethyl formate 70.29
    1,2-dichloroethane 76.08
    n-hexanol 62.77
    2-methoxyethanol 124.39
    isobutyl acetate 37.17
    tetrachloromethane 36.67
    n-pentyl acetate 40.54
    transcutol 178.03
    n-heptanol 32.92
    ethylbenzene 32.95
    MIBK 39.95
    2-propoxyethanol 107.2
    tert-butanol 64.65
    MTBE 41.71
    2-butoxyethanol 62.22
    propionic acid 54.05
    o-xylene 35.01
    formic acid 52.12
    diethyl ether 42.22
    m-xylene 35.12
    p-xylene 49.97
    chlorobenzene 67.65
    dimethyl carbonate 28.46
    n-octane 2.67
    formamide 75.81
    cyclopentanone 92.72
    2-pentanone 49.85
    anisole 62.73
    cyclopentyl methyl ether 48.49
    gamma-butyrolactone 104.95
    1-methoxy-2-propanol 82.31
    pyridine 126.03
    3-pentanone 38.77
    furfural 132.93
    n-dodecane 3.53
    diethylene glycol 107.33
    diisopropyl ether 15.78
    tert-amyl alcohol 49.18
    acetylacetone 60.55
    n-hexadecane 4.04
    acetophenone 62.47
    methyl propionate 47.66
    isopentyl acetate 56.75
    trichloroethylene 161.78
    n-nonanol 32.81
    cyclohexanol 55.48
    benzyl alcohol 64.27
    2-ethylhexanol 37.97
    isooctanol 26.9
    dipropyl ether 26.35
    1,2-dichlorobenzene 63.89
    ethyl lactate 37.01
    propylene carbonate 76.7
    n-methylformamide 65.49
    2-pentanol 37.49
    n-pentane 4.28
    1-propoxy-2-propanol 71.33
    1-methoxy-2-propyl acetate 61.69
    2-(2-methoxypropoxy) propanol 67.63
    mesitylene 21.28
    ε-caprolactone 91.72
    p-cymene 23.38
    epichlorohydrin 120.69
    1,1,1-trichloroethane 81.37
    2-aminoethanol 51.68
    morpholine-4-carbaldehyde 120.63
    sulfolane 79.3
    2,2,4-trimethylpentane 3.88
    2-methyltetrahydrofuran 88.25
    n-hexyl acetate 54.43
    isooctane 3.22
    2-(2-butoxyethoxy)ethanol 87.48
    sec-butyl acetate 35.96
    tert-butyl acetate 41.24
    decalin 6.69
    glycerin 54.14
    diglyme 129.75
    acrylic acid 51.56
    isopropyl myristate 26.45
    n-butyric acid 70.2
    acetyl acetate 51.26
    di(2-ethylhexyl) phthalate 33.8
    ethyl propionate 41.28
    nitromethane 112.91
    1,2-diethoxyethane 59.36
    benzonitrile 85.92
    trioctyl phosphate 22.85
    1-bromopropane 45.54
    gamma-valerolactone 140.5
    n-decanol 25.52
    triethyl phosphate 30.41
    4-methyl-2-pentanol 28.89
    propionitrile 71.89
    vinylene carbonate 87.12
    1,1,2-trichlorotrifluoroethane 90.07
    DMS 51.86
    cumene 24.36
    2-octanol 24.16
    2-hexanone 48.09
    octyl acetate 32.18
    limonene 26.89
    1,2-dimethoxyethane 115.83
    ethyl orthosilicate 29.41
    tributyl phosphate 26.08
    diacetone alcohol 56.26
    N,N-dimethylaniline 40.45
    acrylonitrile 86.9
    aniline 60.91
    1,3-propanediol 79.01
    bromobenzene 66.98
    dibromomethane 109.41
    1,1,2,2-tetrachloroethane 117.0
    2-methyl-cyclohexyl acetate 48.38
    tetrabutyl urea 32.78
    diisobutyl methanol 23.46
    2-phenylethanol 74.33
    styrene 35.48
    dioctyl adipate 36.59
    dimethyl sulfate 33.31
    ethyl butyrate 45.25
    methyl lactate 36.39
    butyl lactate 39.66
    diethyl carbonate 40.91
    propanediol butyl ether 59.2
    triethyl orthoformate 37.7
    p-tert-butyltoluene 21.18
    methyl 4-tert-butylbenzoate 49.59
    morpholine 149.44
    tert-butylamine 39.47
    n-dodecanol 19.5
    dimethoxymethane 67.69
    ethylene carbonate 71.01
    cyrene 67.86
    2-ethoxyethyl acetate 57.57
    2-ethylhexyl acetate 47.0
    1,2,4-trichlorobenzene 74.94
    4-methylpyridine 109.03
    dibutyl ether 28.91
    2,6-dimethyl-4-heptanol 23.46
    DEF 50.6
    dimethyl isosorbide 92.54
    tetrachloroethylene 85.56
    eugenol 57.2
    triacetin 54.76
    span 80 54.96
    1,4-butanediol 37.53
    1,1-dichloroethane 82.95
    2-methyl-1-pentanol 45.99
    methyl formate 58.68
    2-methyl-1-butanol 45.03
    n-decane 5.09
    butyronitrile 76.05
    3,7-dimethyl-1-octanol 35.9
    1-chlorooctane 19.43
    1-chlorotetradecane 9.83
    n-nonane 4.08
    undecane 4.18
    tert-butylcyclohexane 5.98
    cyclooctane 3.32
    cyclopentanol 56.56
    tetrahydropyran 99.4
    tert-amyl methyl ether 31.7
    2,5,8-trioxanonane 98.8
    1-hexene 15.33
    2-isopropoxyethanol 60.11
    2,2,2-trifluoroethanol 38.86
    methyl butyrate 53.26

    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