5-Methyl-5-vinyltetrahydrofuran-2-ol

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  • Identifiers

    CAS number
    40478-73-7

    Molecular formula
    C7H12O2

    SMILES
    CC1(CCC(O1)O)C=C

  • Odor profile

    Floral 68.05%
    Green 59.41%
    Herbal 46.09%
    Fresh 41.3%
    Sweet 40.04%
    Woody 39.88%
    Spicy 33.92%
    Fruity 32.64%
    Mint 32.15%
    Earthy 27.19%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    195°C

    Flash point est.
    70.14 ˚C

  • Synonyms

    • 5-Methyl-5-vinyltetrahydrofuran-2-ol
    • 40478-73-7
    • DTXSID20875691
    • SCHEMBL9550153
    • DTXCID601013812
    • MFCD24503257
    • 5-methyl-5-vinyl-tetrahydrofuran-2-ol
    • SY314483

  • Applications

    5-Methyl-5-vinyltetrahydrofuran-2-ol (CAS 40478-73-7) is a multifunctional organic building block used as a synthetic intermediate in pharmaceutical and agrochemical discovery (to install a tetrahydrofuran motif with convenient diversification at the vinyl and hydroxyl handles), as a reactive monomer/comonomer and reactive diluent in UV/EB-curable coatings, inks and 3D printing resins (the vinyl enables free-radical or thiol-ene curing, while the OH allows incorporation into urethane/epoxy/polyester networks), for modifying and grafting onto polyolefins/elastomers to boost adhesion, toughness and filler dispersion, and for surface functionalization and preparation of acrylate/urethane intermediates, offering VOC reduction by becoming part of the polymer network; it is intended primarily for R&D and specialty manufacturing, with appropriate safety and compatibility evaluation prior to scale-up.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 996.14
    methanol 1346.15
    isopropanol 792.83
    water 101.93
    ethyl acetate 295.13
    n-propanol 778.02
    acetone 403.25
    n-butanol 574.3
    acetonitrile 388.54
    DMF 791.32
    toluene 97.69
    isobutanol 529.96
    1,4-dioxane 663.48
    methyl acetate 311.99
    THF 724.75
    2-butanone 309.98
    n-pentanol 398.03
    sec-butanol 567.45
    n-hexane 33.97
    ethylene glycol 482.56
    NMP 391.08
    cyclohexane 26.03
    DMSO 578.67
    n-butyl acetate 123.35
    n-octanol 179.12
    chloroform 543.87
    n-propyl acetate 125.84
    acetic acid 422.54
    dichloromethane 453.15
    cyclohexanone 280.16
    propylene glycol 606.27
    isopropyl acetate 185.64
    DMAc 520.37
    2-ethoxyethanol 617.03
    isopentanol 418.66
    n-heptane 25.36
    ethyl formate 227.62
    1,2-dichloroethane 225.83
    n-hexanol 407.26
    2-methoxyethanol 937.95
    isobutyl acetate 92.45
    tetrachloromethane 117.66
    n-pentyl acetate 105.81
    transcutol 772.58
    n-heptanol 183.97
    ethylbenzene 52.32
    MIBK 202.27
    2-propoxyethanol 688.78
    tert-butanol 695.62
    MTBE 325.99
    2-butoxyethanol 302.52
    propionic acid 416.01
    o-xylene 80.83
    formic acid 438.72
    diethyl ether 331.16
    m-xylene 103.78
    p-xylene 70.45
    chlorobenzene 125.02
    dimethyl carbonate 131.51
    n-octane 14.97
    formamide 397.25
    cyclopentanone 344.93
    2-pentanone 276.03
    anisole 167.15
    cyclopentyl methyl ether 296.87
    gamma-butyrolactone 395.93
    1-methoxy-2-propanol 753.54
    pyridine 236.7
    3-pentanone 181.16
    furfural 350.37
    n-dodecane 16.38
    diethylene glycol 637.31
    diisopropyl ether 101.61
    tert-amyl alcohol 483.48
    acetylacetone 281.45
    n-hexadecane 17.5
    acetophenone 130.98
    methyl propionate 252.02
    isopentyl acetate 115.74
    trichloroethylene 327.65
    n-nonanol 150.92
    cyclohexanol 286.66
    benzyl alcohol 166.32
    2-ethylhexanol 155.69
    isooctanol 136.15
    dipropyl ether 132.28
    1,2-dichlorobenzene 109.05
    ethyl lactate 119.44
    propylene carbonate 198.92
    n-methylformamide 469.8
    2-pentanol 371.23
    n-pentane 44.4
    1-propoxy-2-propanol 356.35
    1-methoxy-2-propyl acetate 188.35
    2-(2-methoxypropoxy) propanol 218.29
    mesitylene 69.95
    ε-caprolactone 246.95
    p-cymene 49.2
    epichlorohydrin 403.51
    1,1,1-trichloroethane 232.57
    2-aminoethanol 731.87
    morpholine-4-carbaldehyde 503.19
    sulfolane 373.11
    2,2,4-trimethylpentane 28.19
    2-methyltetrahydrofuran 410.08
    n-hexyl acetate 171.5
    isooctane 28.03
    2-(2-butoxyethoxy)ethanol 308.89
    sec-butyl acetate 98.18
    tert-butyl acetate 196.6
    decalin 21.73
    glycerin 656.11
    diglyme 473.06
    acrylic acid 326.4
    isopropyl myristate 78.75
    n-butyric acid 382.57
    acetyl acetate 158.5
    di(2-ethylhexyl) phthalate 74.49
    ethyl propionate 128.61
    nitromethane 486.74
    1,2-diethoxyethane 208.87
    benzonitrile 143.94
    trioctyl phosphate 63.19
    1-bromopropane 188.38
    gamma-valerolactone 476.39
    n-decanol 115.97
    triethyl phosphate 59.5
    4-methyl-2-pentanol 223.59
    propionitrile 314.01
    vinylene carbonate 198.87
    1,1,2-trichlorotrifluoroethane 337.8
    DMS 115.32
    cumene 52.47
    2-octanol 120.92
    2-hexanone 157.76
    octyl acetate 97.31
    limonene 68.77
    1,2-dimethoxyethane 563.96
    ethyl orthosilicate 61.89
    tributyl phosphate 67.72
    diacetone alcohol 288.48
    N,N-dimethylaniline 122.55
    acrylonitrile 324.04
    aniline 204.17
    1,3-propanediol 659.45
    bromobenzene 107.37
    dibromomethane 291.32
    1,1,2,2-tetrachloroethane 285.3
    2-methyl-cyclohexyl acetate 90.06
    tetrabutyl urea 84.99
    diisobutyl methanol 94.59
    2-phenylethanol 177.89
    styrene 60.89
    dioctyl adipate 91.11
    dimethyl sulfate 193.33
    ethyl butyrate 94.32
    methyl lactate 218.39
    butyl lactate 106.14
    diethyl carbonate 66.25
    propanediol butyl ether 272.92
    triethyl orthoformate 75.52
    p-tert-butyltoluene 53.84
    methyl 4-tert-butylbenzoate 141.2
    morpholine 663.06
    tert-butylamine 429.32
    n-dodecanol 91.86
    dimethoxymethane 504.59
    ethylene carbonate 175.07
    cyrene 180.1
    2-ethoxyethyl acetate 146.71
    2-ethylhexyl acetate 86.19
    1,2,4-trichlorobenzene 126.21
    4-methylpyridine 235.22
    dibutyl ether 113.31
    2,6-dimethyl-4-heptanol 94.59
    DEF 277.63
    dimethyl isosorbide 263.97
    tetrachloroethylene 210.5
    eugenol 163.09
    triacetin 140.87
    span 80 186.05
    1,4-butanediol 381.13
    1,1-dichloroethane 308.82
    2-methyl-1-pentanol 281.93
    methyl formate 318.34
    2-methyl-1-butanol 411.64
    n-decane 25.27
    butyronitrile 290.55
    3,7-dimethyl-1-octanol 157.84
    1-chlorooctane 82.98
    1-chlorotetradecane 38.88
    n-nonane 23.55
    undecane 19.72
    tert-butylcyclohexane 28.82
    cyclooctane 13.59
    cyclopentanol 365.87
    tetrahydropyran 389.74
    tert-amyl methyl ether 225.45
    2,5,8-trioxanonane 344.86
    1-hexene 111.81
    2-isopropoxyethanol 372.65
    2,2,2-trifluoroethanol 218.49
    methyl butyrate 157.12

    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

Botanical

Name CAS Botanical Proportion
Davana 1 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 0.1%
Davana (India) 1 8016-03-3 Artemisia pallens Wall. ex DC., fam. Asteraceae (Compositae) 1.0%