3-Methyl-3-vinyl-dihydro-furan-2-one

  • Identifiers

    Molecular formula
    C7H10O2

    SMILES
    CC1(CCOC1=O)C=C

  • Odor profile

    Fragrance
    Mint 48.44%
    Sweet 43.77%
    Herbal 43.16%
    Spicy 39.52%
    Tobacco 34.99%
    Fruity 34.91%
    Caramellic 34.69%
    Nutty 32.25%
    Burnt 31.88%
    Coumarinic 29.04%

     

    Flavor
    Fruity 50.63%
    Minty 45.31%
    Herbal 31.44%
    Caramel 29.09%
    Sweet 28.3%
    Tobacco 26.5%
    Spice 23.25%
    Floral 23.06%
    Woody 22.3%
    Mint 21.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point

    • 68.27 ˚C est.

  • Synonyms

    • SCHEMBL15448137
    • OOYNHRHZUXAHSV-UHFFFAOYSA-N
    • 3-Methyl-3-vinyl-dihydro-furan-2-one
  • Applications

    3-Methyl-3-vinyl-dihydro-furan-2-one; CAS number: is primarily an organic synthesis intermediate that can serve as a reactive gamma-lactone building block for specialty polymers and plastics, with potential as a monomer or comonomer in polymer networks. In coatings and inks, it may function as a reactive diluent or crosslinkable component to enable formulation of various polymer systems. In fragrance chemistry, gamma-lactone derivatives are used as aroma ingredients, and this compound may be evaluated as a fragrance intermediate. In cosmetics and personal care, it could be used as a fragrance intermediate or synthetic building block in formulations. In household products, it may be incorporated as a fragrance component or as a compound that participates in polymerization in cleaning and hygiene product formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 295.35
    methanol 424.25
    isopropanol 203.04
    water 12.2
    ethyl acetate 254.26
    n-propanol 208.5
    acetone 214.46
    n-butanol 199.87
    acetonitrile 234.61
    DMF 307.94
    toluene 106.04
    isobutanol 166.3
    1,4-dioxane 430.72
    methyl acetate 227.11
    THF 423.73
    2-butanone 207.93
    n-pentanol 172.72
    sec-butanol 176.28
    n-hexane 13.46
    ethylene glycol 78.84
    NMP 213.56
    cyclohexane 15.08
    DMSO 244.56
    n-butyl acetate 121.06
    n-octanol 78.27
    chloroform 569.82
    n-propyl acetate 141.8
    acetic acid 298.33
    dichloromethane 495.75
    cyclohexanone 216.39
    propylene glycol 75.0
    isopropyl acetate 163.56
    DMAc 256.91
    2-ethoxyethanol 319.64
    isopentanol 209.63
    n-heptane 9.13
    ethyl formate 154.65
    1,2-dichloroethane 263.24
    n-hexanol 135.26
    2-methoxyethanol 403.07
    isobutyl acetate 97.15
    tetrachloromethane 114.63
    n-pentyl acetate 97.95
    transcutol 913.03
    n-heptanol 82.75
    ethylbenzene 72.15
    MIBK 172.03
    2-propoxyethanol 248.92
    tert-butanol 283.88
    MTBE 218.52
    2-butoxyethanol 162.55
    propionic acid 190.13
    o-xylene 92.58
    formic acid 268.46
    diethyl ether 216.85
    m-xylene 104.52
    p-xylene 112.86
    chlorobenzene 156.15
    dimethyl carbonate 101.9
    n-octane 6.05
    formamide 374.74
    cyclopentanone 252.57
    2-pentanone 185.57
    anisole 200.11
    cyclopentyl methyl ether 179.5
    gamma-butyrolactone 315.33
    1-methoxy-2-propanol 277.21
    pyridine 240.62
    3-pentanone 132.33
    furfural 335.24
    n-dodecane 6.17
    diethylene glycol 218.64
    diisopropyl ether 83.68
    tert-amyl alcohol 229.27
    acetylacetone 244.15
    n-hexadecane 7.03
    acetophenone 184.28
    methyl propionate 173.36
    isopentyl acetate 133.88
    trichloroethylene 526.08
    n-nonanol 74.17
    cyclohexanol 137.74
    benzyl alcohol 153.08
    2-ethylhexanol 80.28
    isooctanol 79.43
    dipropyl ether 73.31
    1,2-dichlorobenzene 172.91
    ethyl lactate 80.32
    propylene carbonate 184.37
    n-methylformamide 241.57
    2-pentanol 154.14
    n-pentane 14.76
    1-propoxy-2-propanol 147.13
    1-methoxy-2-propyl acetate 165.45
    2-(2-methoxypropoxy) propanol 191.93
    mesitylene 75.8
    ε-caprolactone 215.49
    p-cymene 49.35
    epichlorohydrin 393.89
    1,1,1-trichloroethane 300.65
    2-aminoethanol 163.81
    morpholine-4-carbaldehyde 372.13
    sulfolane 287.19
    2,2,4-trimethylpentane 16.0
    2-methyltetrahydrofuran 255.09
    n-hexyl acetate 142.2
    isooctane 16.1
    2-(2-butoxyethoxy)ethanol 263.06
    sec-butyl acetate 116.75
    tert-butyl acetate 213.23
    decalin 18.12
    glycerin 126.06
    diglyme 425.41
    acrylic acid 172.94
    isopropyl myristate 63.76
    n-butyric acid 229.26
    acetyl acetate 164.94
    di(2-ethylhexyl) phthalate 67.54
    ethyl propionate 128.57
    nitromethane 447.97
    1,2-diethoxyethane 227.85
    benzonitrile 168.8
    trioctyl phosphate 44.28
    1-bromopropane 133.95
    gamma-valerolactone 351.9
    n-decanol 53.92
    triethyl phosphate 63.93
    4-methyl-2-pentanol 120.79
    propionitrile 175.7
    vinylene carbonate 193.31
    1,1,2-trichlorotrifluoroethane 249.39
    DMS 132.96
    cumene 64.76
    2-octanol 58.15
    2-hexanone 140.07
    octyl acetate 75.51
    limonene 59.44
    1,2-dimethoxyethane 366.9
    ethyl orthosilicate 66.96
    tributyl phosphate 59.51
    diacetone alcohol 227.91
    N,N-dimethylaniline 137.65
    acrylonitrile 228.48
    aniline 155.99
    1,3-propanediol 227.1
    bromobenzene 155.26
    dibromomethane 289.14
    1,1,2,2-tetrachloroethane 376.53
    2-methyl-cyclohexyl acetate 107.25
    tetrabutyl urea 67.61
    diisobutyl methanol 62.11
    2-phenylethanol 144.44
    styrene 88.71
    dioctyl adipate 89.09
    dimethyl sulfate 139.81
    ethyl butyrate 106.76
    methyl lactate 92.24
    butyl lactate 83.72
    diethyl carbonate 83.39
    propanediol butyl ether 146.5
    triethyl orthoformate 84.81
    p-tert-butyltoluene 50.53
    methyl 4-tert-butylbenzoate 153.61
    morpholine 418.38
    tert-butylamine 176.32
    n-dodecanol 40.57
    dimethoxymethane 286.43
    ethylene carbonate 153.75
    cyrene 166.82
    2-ethoxyethyl acetate 161.56
    2-ethylhexyl acetate 100.36
    1,2,4-trichlorobenzene 195.38
    4-methylpyridine 248.87
    dibutyl ether 77.89
    2,6-dimethyl-4-heptanol 62.11
    DEF 191.82
    dimethyl isosorbide 271.92
    tetrachloroethylene 281.96
    eugenol 151.29
    triacetin 150.67
    span 80 135.38
    1,4-butanediol 108.56
    1,1-dichloroethane 283.96
    2-methyl-1-pentanol 175.03
    methyl formate 172.52
    2-methyl-1-butanol 177.32
    n-decane 9.91
    butyronitrile 164.58
    3,7-dimethyl-1-octanol 90.93
    1-chlorooctane 42.66
    1-chlorotetradecane 19.14
    n-nonane 8.56
    undecane 7.53
    tert-butylcyclohexane 20.58
    cyclooctane 7.57
    cyclopentanol 136.88
    tetrahydropyran 242.04
    tert-amyl methyl ether 160.49
    2,5,8-trioxanonane 308.47
    1-hexene 54.71
    2-isopropoxyethanol 218.77
    2,2,2-trifluoroethanol 158.52
    methyl butyrate 156.4

    Scent© AI

1 of 4
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