1,6-Dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

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  • Identifiers

    CAS number
    73654-32-7

    Molecular formula
    C8H10O

    SMILES
    CC12C=CC=CC1(O2)C

  • Odor profile

    Fragrance
    Fruity 75.46%
    Woody 43.15%
    Berry 37.54%
    Floral 36.4%
    Tropical 32.89%
    Black currant 30.1%
    Spicy 27.9%
    Sweet 25.44%
    Raspberry 25.37%
    Fresh 24.91%

     

    Flavor
    Fruity 34.72%
    Floral 33.89%
    Woody 30.38%
    Herbal 28.25%
    Mint 26.43%
    Green 25.38%
    Minty 23.78%
    Spice 23.08%
    Bitter 22.5%
    Wood 21.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.87 (neutral)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 56.85 ˚C est.

  • Synonyms

    • 1,6-Dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
    • xylenoxide
    • 73654-32-7
    • SCHEMBL283329
    • DTXSID20514159

  • Applications

    For 1,6-Dimethyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CAS 73654-32-7), it can function as a reactive building block in organic synthesis, typically used as a precursor to more complex molecules. In polymer chemistry, it may serve as a monomer or comonomer for ROMP- or Diels–Alder-type polymerizations to form high-performance, rigid polymers. It can act as a crosslinking component in coatings, inks, and adhesives, where cycloaddition-type reactions can improve cure speed and network properties. As an intermediate, it is commonly evaluated for pharmaceutical or agrochemical synthesis to access specialized scaffolds. In industrial manufacturing contexts, it may be used as a specialized building block for the production of high-value specialty chemicals, leveraging its strained bicyclic core to influence reactivity and material performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.28
    methanol 228.1
    isopropanol 147.95
    water 4.09
    ethyl acetate 138.3
    n-propanol 165.86
    acetone 137.34
    n-butanol 124.1
    acetonitrile 161.79
    DMF 176.67
    toluene 64.98
    isobutanol 106.36
    1,4-dioxane 293.69
    methyl acetate 156.65
    THF 254.55
    2-butanone 141.2
    n-pentanol 95.15
    sec-butanol 129.28
    n-hexane 24.81
    ethylene glycol 65.76
    NMP 115.93
    cyclohexane 24.65
    DMSO 127.13
    n-butyl acetate 56.43
    n-octanol 41.81
    chloroform 301.15
    n-propyl acetate 64.44
    acetic acid 114.38
    dichloromethane 257.29
    cyclohexanone 112.8
    propylene glycol 77.68
    isopropyl acetate 84.06
    DMAc 167.31
    2-ethoxyethanol 174.07
    isopentanol 90.96
    n-heptane 15.43
    ethyl formate 79.64
    1,2-dichloroethane 133.8
    n-hexanol 92.15
    2-methoxyethanol 251.15
    isobutyl acetate 46.1
    tetrachloromethane 65.33
    n-pentyl acetate 46.34
    transcutol 333.38
    n-heptanol 47.62
    ethylbenzene 40.79
    MIBK 72.64
    2-propoxyethanol 185.11
    tert-butanol 127.21
    MTBE 124.12
    2-butoxyethanol 98.68
    propionic acid 99.35
    o-xylene 48.95
    formic acid 90.36
    diethyl ether 183.23
    m-xylene 49.54
    p-xylene 51.8
    chlorobenzene 69.79
    dimethyl carbonate 67.25
    n-octane 6.91
    formamide 164.24
    cyclopentanone 131.89
    2-pentanone 107.34
    anisole 104.66
    cyclopentyl methyl ether 118.99
    gamma-butyrolactone 137.49
    1-methoxy-2-propanol 189.41
    pyridine 155.08
    3-pentanone 100.4
    furfural 133.23
    n-dodecane 6.22
    diethylene glycol 157.25
    diisopropyl ether 56.61
    tert-amyl alcohol 110.57
    acetylacetone 108.54
    n-hexadecane 6.95
    acetophenone 75.17
    methyl propionate 119.2
    isopentyl acetate 56.24
    trichloroethylene 206.91
    n-nonanol 41.61
    cyclohexanol 76.56
    benzyl alcohol 69.36
    2-ethylhexanol 48.11
    isooctanol 37.93
    dipropyl ether 72.63
    1,2-dichlorobenzene 66.25
    ethyl lactate 45.82
    propylene carbonate 65.25
    n-methylformamide 141.88
    2-pentanol 90.46
    n-pentane 27.6
    1-propoxy-2-propanol 110.68
    1-methoxy-2-propyl acetate 99.49
    2-(2-methoxypropoxy) propanol 93.11
    mesitylene 33.24
    ε-caprolactone 105.87
    p-cymene 26.36
    epichlorohydrin 196.19
    1,1,1-trichloroethane 118.08
    2-aminoethanol 123.68
    morpholine-4-carbaldehyde 196.82
    sulfolane 103.42
    2,2,4-trimethylpentane 12.87
    2-methyltetrahydrofuran 174.5
    n-hexyl acetate 65.02
    isooctane 11.08
    2-(2-butoxyethoxy)ethanol 120.67
    sec-butyl acetate 56.58
    tert-butyl acetate 80.36
    decalin 15.63
    glycerin 96.65
    diglyme 213.57
    acrylic acid 83.64
    isopropyl myristate 33.19
    n-butyric acid 95.33
    acetyl acetate 83.75
    di(2-ethylhexyl) phthalate 30.43
    ethyl propionate 73.39
    nitromethane 206.03
    1,2-diethoxyethane 120.73
    benzonitrile 69.48
    trioctyl phosphate 20.18
    1-bromopropane 106.73
    gamma-valerolactone 189.02
    n-decanol 31.44
    triethyl phosphate 37.42
    4-methyl-2-pentanol 54.8
    propionitrile 129.79
    vinylene carbonate 76.01
    1,1,2-trichlorotrifluoroethane 140.55
    DMS 69.9
    cumene 32.55
    2-octanol 31.16
    2-hexanone 71.36
    octyl acetate 37.05
    limonene 32.59
    1,2-dimethoxyethane 214.12
    ethyl orthosilicate 39.63
    tributyl phosphate 25.12
    diacetone alcohol 85.4
    N,N-dimethylaniline 67.31
    acrylonitrile 131.64
    aniline 87.68
    1,3-propanediol 129.73
    bromobenzene 69.42
    dibromomethane 170.19
    1,1,2,2-tetrachloroethane 157.06
    2-methyl-cyclohexyl acetate 49.93
    tetrabutyl urea 31.71
    diisobutyl methanol 34.67
    2-phenylethanol 71.99
    styrene 45.6
    dioctyl adipate 39.82
    dimethyl sulfate 75.12
    ethyl butyrate 55.13
    methyl lactate 66.29
    butyl lactate 39.43
    diethyl carbonate 44.11
    propanediol butyl ether 68.71
    triethyl orthoformate 50.29
    p-tert-butyltoluene 25.91
    methyl 4-tert-butylbenzoate 59.51
    morpholine 286.46
    tert-butylamine 91.48
    n-dodecanol 24.57
    dimethoxymethane 194.48
    ethylene carbonate 67.48
    cyrene 73.81
    2-ethoxyethyl acetate 87.0
    2-ethylhexyl acetate 46.52
    1,2,4-trichlorobenzene 76.72
    4-methylpyridine 117.77
    dibutyl ether 50.31
    2,6-dimethyl-4-heptanol 34.67
    DEF 110.37
    dimethyl isosorbide 124.14
    tetrachloroethylene 113.71
    eugenol 65.05
    triacetin 74.01
    span 80 64.73
    1,4-butanediol 60.91
    1,1-dichloroethane 143.61
    2-methyl-1-pentanol 75.37
    methyl formate 93.1
    2-methyl-1-butanol 91.59
    n-decane 9.8
    butyronitrile 102.5
    3,7-dimethyl-1-octanol 42.78
    1-chlorooctane 28.18
    1-chlorotetradecane 14.43
    n-nonane 9.01
    undecane 7.54
    tert-butylcyclohexane 15.26
    cyclooctane 11.76
    cyclopentanol 87.94
    tetrahydropyran 186.63
    tert-amyl methyl ether 93.86
    2,5,8-trioxanonane 155.99
    1-hexene 53.51
    2-isopropoxyethanol 118.6
    2,2,2-trifluoroethanol 62.59
    methyl butyrate 72.69

    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