4-Methyl-7-(1-methylethenyl)-3,8-dioxatricyclo[5.1.0.02,4]octane

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  • Identifiers

    CAS number
    120749-18-0

    Molecular formula
    C10H14O2

    SMILES
    CC(=C)C12CCC3(C(C1O2)O3)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.08%
    Sweet 32.28%
    Floral 30.51%
    Fresh 29.27%
    Mint 27.94%
    Citrus 26.78%
    Fruity 26.61%
    Spicy 23.35%
    Earthy 22.54%
    Herbal 20.66%

     

    Flavor
    Bitter 46.65%
    Green 28.42%
    Minty 24.81%
    Earthy 24.61%
    Roasted 22.45%
    Cedarleaf 21.07%
    Carrot 19.93%
    Green pepper 19.87%
    Diphenyl oxide 19.7%
    Tomato leaf 19.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.76 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 74.86 ˚C est.

  • Synonyms

    • 120749-18-0
    • 4-Methyl-7-(1-methylethenyl)-3,8-dioxatricyclo[5.1.0.02,4]octane
    • 4-Methyl-7-(1-methylethenyl)-3,8-dioxatricyclo(5.1.0.02,4)octane
    • RefChem:294415
    • 1,2:3,4-Diepoxy-p-menth-8-ene
    • CHEBI:195776
    • DTXSID001169978
    • 1,2:3,4-Bisepoxy-p-menth-8-ene
    • 4-methyl-7-prop-1-en-2-yl-3,8-dioxatricyclo[5.1.0.02,4]octane
    • 4-Methyl-7-(prop-1-en-2-yl)-3,8-dioxatricyclo[5.1.0.0~2,4~]octane
    • 120749-18-0

  • Applications

    4-Methyl-7-(1-methylethenyl)-3,8-dioxatricyclo[5.1.0.02,4]octane (CAS 120749-18-0) is a rigid, oxygen-containing tricyclic framework that may be used as an intermediate in organic synthesis and is of interest to the fragrance and flavor fields as a potential odorant precursor; it can also function as a monomer or reactive additive in specialty polymers and UV-curable coatings and inks due to its isopropenyl group; the compound may be explored as a building block for pharmaceutical or agrochemical research through further functionalization; and its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 129.1
    methanol 210.56
    isopropanol 110.14
    water 2.82
    ethyl acetate 108.62
    n-propanol 101.19
    acetone 106.21
    n-butanol 97.83
    acetonitrile 168.1
    DMF 121.73
    toluene 104.37
    isobutanol 74.87
    1,4-dioxane 299.94
    methyl acetate 113.86
    THF 251.08
    2-butanone 103.79
    n-pentanol 65.89
    sec-butanol 74.04
    n-hexane 3.46
    ethylene glycol 47.4
    NMP 72.85
    cyclohexane 13.66
    DMSO 104.41
    n-butyl acetate 79.62
    n-octanol 46.11
    chloroform 416.26
    n-propyl acetate 68.73
    acetic acid 116.97
    dichloromethane 323.61
    cyclohexanone 118.6
    propylene glycol 45.78
    isopropyl acetate 74.05
    DMAc 122.12
    2-ethoxyethanol 143.53
    isopentanol 87.63
    n-heptane 5.7
    ethyl formate 100.95
    1,2-dichloroethane 121.81
    n-hexanol 76.17
    2-methoxyethanol 227.18
    isobutyl acetate 53.26
    tetrachloromethane 59.03
    n-pentyl acetate 54.13
    transcutol 384.07
    n-heptanol 44.83
    ethylbenzene 52.27
    MIBK 70.0
    2-propoxyethanol 161.76
    tert-butanol 108.95
    MTBE 72.78
    2-butoxyethanol 99.28
    propionic acid 71.72
    o-xylene 60.91
    formic acid 95.8
    diethyl ether 74.44
    m-xylene 64.85
    p-xylene 75.26
    chlorobenzene 110.81
    dimethyl carbonate 53.24
    n-octane 3.11
    formamide 150.9
    cyclopentanone 124.89
    2-pentanone 80.69
    anisole 118.25
    cyclopentyl methyl ether 77.69
    gamma-butyrolactone 130.81
    1-methoxy-2-propanol 147.68
    pyridine 236.02
    3-pentanone 57.74
    furfural 194.56
    n-dodecane 4.25
    diethylene glycol 152.63
    diisopropyl ether 27.12
    tert-amyl alcohol 69.65
    acetylacetone 113.72
    n-hexadecane 4.9
    acetophenone 100.36
    methyl propionate 75.7
    isopentyl acetate 81.64
    trichloroethylene 263.93
    n-nonanol 45.97
    cyclohexanol 75.9
    benzyl alcohol 104.42
    2-ethylhexanol 48.0
    isooctanol 38.42
    dipropyl ether 44.2
    1,2-dichlorobenzene 97.32
    ethyl lactate 46.78
    propylene carbonate 92.9
    n-methylformamide 104.96
    2-pentanol 59.62
    n-pentane 5.68
    1-propoxy-2-propanol 105.58
    1-methoxy-2-propyl acetate 105.18
    2-(2-methoxypropoxy) propanol 108.61
    mesitylene 39.07
    ε-caprolactone 107.5
    p-cymene 37.1
    epichlorohydrin 195.9
    1,1,1-trichloroethane 125.67
    2-aminoethanol 81.41
    morpholine-4-carbaldehyde 168.9
    sulfolane 91.82
    2,2,4-trimethylpentane 4.46
    2-methyltetrahydrofuran 128.68
    n-hexyl acetate 75.53
    isooctane 4.43
    2-(2-butoxyethoxy)ethanol 147.75
    sec-butyl acetate 55.54
    tert-butyl acetate 71.29
    decalin 8.14
    glycerin 71.07
    diglyme 268.04
    acrylic acid 68.33
    isopropyl myristate 38.64
    n-butyric acid 105.96
    acetyl acetate 94.39
    di(2-ethylhexyl) phthalate 43.54
    ethyl propionate 61.57
    nitromethane 177.32
    1,2-diethoxyethane 117.42
    benzonitrile 143.4
    trioctyl phosphate 29.3
    1-bromopropane 70.06
    gamma-valerolactone 190.21
    n-decanol 34.04
    triethyl phosphate 40.31
    4-methyl-2-pentanol 47.72
    propionitrile 119.89
    vinylene carbonate 113.09
    1,1,2-trichlorotrifluoroethane 139.1
    DMS 69.16
    cumene 36.56
    2-octanol 30.3
    2-hexanone 65.86
    octyl acetate 43.92
    limonene 38.24
    1,2-dimethoxyethane 225.11
    ethyl orthosilicate 40.18
    tributyl phosphate 35.45
    diacetone alcohol 82.81
    N,N-dimethylaniline 70.71
    acrylonitrile 146.63
    aniline 119.07
    1,3-propanediol 125.79
    bromobenzene 117.95
    dibromomethane 186.97
    1,1,2,2-tetrachloroethane 186.94
    2-methyl-cyclohexyl acetate 63.78
    tetrabutyl urea 44.05
    diisobutyl methanol 34.79
    2-phenylethanol 104.97
    styrene 63.9
    dioctyl adipate 53.09
    dimethyl sulfate 51.55
    ethyl butyrate 67.38
    methyl lactate 56.74
    butyl lactate 50.28
    diethyl carbonate 57.99
    propanediol butyl ether 88.08
    triethyl orthoformate 56.18
    p-tert-butyltoluene 34.33
    methyl 4-tert-butylbenzoate 72.31
    morpholine 265.88
    tert-butylamine 66.93
    n-dodecanol 25.84
    dimethoxymethane 144.92
    ethylene carbonate 96.0
    cyrene 83.82
    2-ethoxyethyl acetate 91.3
    2-ethylhexyl acetate 62.58
    1,2,4-trichlorobenzene 106.38
    4-methylpyridine 184.85
    dibutyl ether 48.3
    2,6-dimethyl-4-heptanol 34.79
    DEF 77.17
    dimethyl isosorbide 139.6
    tetrachloroethylene 136.42
    eugenol 87.31
    triacetin 88.11
    span 80 77.31
    1,4-butanediol 51.71
    1,1-dichloroethane 131.98
    2-methyl-1-pentanol 61.57
    methyl formate 85.57
    2-methyl-1-butanol 68.92
    n-decane 6.2
    butyronitrile 124.52
    3,7-dimethyl-1-octanol 54.66
    1-chlorooctane 25.4
    1-chlorotetradecane 12.72
    n-nonane 4.84
    undecane 5.01
    tert-butylcyclohexane 7.17
    cyclooctane 5.02
    cyclopentanol 75.74
    tetrahydropyran 158.55
    tert-amyl methyl ether 48.41
    2,5,8-trioxanonane 192.03
    1-hexene 18.4
    2-isopropoxyethanol 98.58
    2,2,2-trifluoroethanol 56.05
    methyl butyrate 75.84

    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