2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, 2-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67689-50-3

    Molecular formula
    C12H20O3

    SMILES
    CC(=O)OC(C)(C)C1CCC(O1)(C)C=C

  • Odor profile

    Fragrance
    Fruity 77.73%
    Herbal 64.16%
    Floral 62.96%
    Woody 61.92%
    Fresh 49.81%
    Mint 48.41%
    Sweet 45.44%
    Green 42.71%
    Citrus 37.69%
    Spicy 36.11%

     

    Flavor
    Herbal 53.75%
    Floral 48.11%
    Sweet 47.82%
    Woody 46.43%
    Citrus 44.27%
    Fruity 43.81%
    Tropical 41.17%
    Lavender 40.3%
    Bergamot 31.01%
    Minty 30.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.27 (weak base)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 97.69 ˚C est.

  • Synonyms

    • Linalool oxide acetates
    • 67689-50-3
    • EINECS 266-907-0
    • DTXSID30867305
    • 2-Methyl-2-vinyl-5-(acetoxyisopropyl)tetrahydrofuran
    • 5-(1-Acetoxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran
    • 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, 2-acetate
    • 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, 2-acetate
    • Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfurfuryl acetate
    • SCHEMBL3504652
    • DTXCID40815498
    • PZMSWQCFPOWCEC-UHFFFAOYSA-N
    • 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, acetate
    • 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, acetate
    • NS00055940

  • Applications

    2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, 2-acetate (CAS 67689-50-3) is a furfuryl-derived acetate primarily used as an intermediate in fragrance and polymer chemistry. In practice, it may be employed as an odorant/fragrance component in perfumery and considered for fragrance applications in cosmetics and personal care; it can also be processed as an intermediate for the synthesis of fragrance and flavor compounds and for furan-containing polymers/resins in industrial manufacturing; in some cases, it may appear as an odorant in household products or cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 984.35
    methanol 1344.43
    isopropanol 917.76
    water 18.86
    ethyl acetate 730.11
    n-propanol 874.72
    acetone 786.51
    n-butanol 818.66
    acetonitrile 673.13
    DMF 1525.58
    toluene 649.14
    isobutanol 771.78
    1,4-dioxane 1132.0
    methyl acetate 750.55
    THF 1461.58
    2-butanone 768.65
    n-pentanol 575.81
    sec-butanol 909.72
    n-hexane 114.89
    ethylene glycol 265.08
    NMP 1326.34
    cyclohexane 166.27
    DMSO 891.68
    n-butyl acetate 442.28
    n-octanol 337.76
    chloroform 2801.29
    n-propyl acetate 375.2
    acetic acid 965.57
    dichloromethane 2026.39
    cyclohexanone 1084.65
    propylene glycol 412.85
    isopropyl acetate 536.62
    DMAc 1618.16
    2-ethoxyethanol 710.1
    isopentanol 720.96
    n-heptane 46.25
    ethyl formate 545.96
    1,2-dichloroethane 993.99
    n-hexanol 630.59
    2-methoxyethanol 1016.2
    isobutyl acetate 307.09
    tetrachloromethane 423.2
    n-pentyl acetate 339.13
    transcutol 1314.16
    n-heptanol 253.72
    ethylbenzene 376.28
    MIBK 438.0
    2-propoxyethanol 823.84
    tert-butanol 984.65
    MTBE 894.01
    2-butoxyethanol 403.0
    propionic acid 659.34
    o-xylene 424.72
    formic acid 539.85
    diethyl ether 688.42
    m-xylene 484.2
    p-xylene 486.59
    chlorobenzene 686.99
    dimethyl carbonate 363.13
    n-octane 27.21
    formamide 520.11
    cyclopentanone 968.75
    2-pentanone 628.54
    anisole 573.87
    cyclopentyl methyl ether 792.86
    gamma-butyrolactone 1193.49
    1-methoxy-2-propanol 854.63
    pyridine 828.91
    3-pentanone 548.78
    furfural 1053.81
    n-dodecane 27.21
    diethylene glycol 638.08
    diisopropyl ether 243.26
    tert-amyl alcohol 942.21
    acetylacetone 705.54
    n-hexadecane 30.95
    acetophenone 532.47
    methyl propionate 618.15
    isopentyl acetate 436.2
    trichloroethylene 1899.03
    n-nonanol 275.37
    cyclohexanol 792.72
    benzyl alcohol 508.23
    2-ethylhexanol 309.36
    isooctanol 209.25
    dipropyl ether 243.91
    1,2-dichlorobenzene 619.66
    ethyl lactate 257.14
    propylene carbonate 767.43
    n-methylformamide 745.64
    2-pentanol 585.21
    n-pentane 114.17
    1-propoxy-2-propanol 486.63
    1-methoxy-2-propyl acetate 510.98
    2-(2-methoxypropoxy) propanol 386.02
    mesitylene 269.73
    ε-caprolactone 1058.56
    p-cymene 163.11
    epichlorohydrin 1227.17
    1,1,1-trichloroethane 1133.61
    2-aminoethanol 507.37
    morpholine-4-carbaldehyde 1291.56
    sulfolane 1108.62
    2,2,4-trimethylpentane 80.9
    2-methyltetrahydrofuran 1189.85
    n-hexyl acetate 568.39
    isooctane 48.68
    2-(2-butoxyethoxy)ethanol 500.11
    sec-butyl acetate 339.19
    tert-butyl acetate 498.14
    decalin 106.71
    glycerin 502.68
    diglyme 858.97
    acrylic acid 545.1
    isopropyl myristate 185.19
    n-butyric acid 796.36
    acetyl acetate 564.24
    di(2-ethylhexyl) phthalate 188.06
    ethyl propionate 404.95
    nitromethane 1202.4
    1,2-diethoxyethane 430.33
    benzonitrile 581.6
    trioctyl phosphate 139.54
    1-bromopropane 768.75
    gamma-valerolactone 1334.19
    n-decanol 185.46
    triethyl phosphate 184.49
    4-methyl-2-pentanol 341.29
    propionitrile 611.74
    vinylene carbonate 767.55
    1,1,2-trichlorotrifluoroethane 951.69
    DMS 451.01
    cumene 258.83
    2-octanol 214.52
    2-hexanone 429.91
    octyl acetate 241.13
    limonene 230.53
    1,2-dimethoxyethane 1008.4
    ethyl orthosilicate 183.47
    tributyl phosphate 177.08
    diacetone alcohol 516.82
    N,N-dimethylaniline 427.6
    acrylonitrile 640.73
    aniline 638.12
    1,3-propanediol 640.84
    bromobenzene 718.74
    dibromomethane 1357.16
    1,1,2,2-tetrachloroethane 1703.78
    2-methyl-cyclohexyl acetate 297.07
    tetrabutyl urea 221.88
    diisobutyl methanol 150.64
    2-phenylethanol 459.09
    styrene 425.11
    dioctyl adipate 243.75
    dimethyl sulfate 584.23
    ethyl butyrate 303.42
    methyl lactate 373.59
    butyl lactate 278.24
    diethyl carbonate 238.39
    propanediol butyl ether 443.38
    triethyl orthoformate 238.62
    p-tert-butyltoluene 160.87
    methyl 4-tert-butylbenzoate 370.96
    morpholine 1268.81
    tert-butylamine 681.05
    n-dodecanol 133.0
    dimethoxymethane 846.18
    ethylene carbonate 668.0
    cyrene 409.85
    2-ethoxyethyl acetate 418.49
    2-ethylhexyl acetate 360.06
    1,2,4-trichlorobenzene 723.28
    4-methylpyridine 1146.25
    dibutyl ether 279.13
    2,6-dimethyl-4-heptanol 150.64
    DEF 775.45
    dimethyl isosorbide 605.29
    tetrachloroethylene 1005.79
    eugenol 357.68
    triacetin 468.47
    span 80 325.88
    1,4-butanediol 312.14
    1,1-dichloroethane 1237.5
    2-methyl-1-pentanol 560.41
    methyl formate 628.94
    2-methyl-1-butanol 763.09
    n-decane 47.79
    butyronitrile 644.59
    3,7-dimethyl-1-octanol 304.09
    1-chlorooctane 210.08
    1-chlorotetradecane 77.61
    n-nonane 45.94
    undecane 34.45
    tert-butylcyclohexane 99.74
    cyclooctane 62.1
    cyclopentanol 757.12
    tetrahydropyran 1097.89
    tert-amyl methyl ether 680.09
    2,5,8-trioxanonane 557.84
    1-hexene 366.31
    2-isopropoxyethanol 497.1
    2,2,2-trifluoroethanol 425.59
    methyl butyrate 514.15

    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