2-(3-Methylbut-2-en-2-yl)oxane

  • Identifiers

    Molecular formula
    C10H18O

    SMILES
    CC(=C(C)C1CCCCO1)C

  • Odor profile

    Fragrance
    Herbal 81.94%
    Fresh 64.28%
    Mint 61.01%
    Spicy 52.89%
    Camphoreous 51.77%
    Citrus 48.54%
    Woody 45.02%
    Lemon 42.3%
    Terpenic 40.58%
    Cooling 37.86%

     

    Flavor
    Green 56.66%
    Herbal 44.92%
    Spicy 42.99%
    Fresh 35.16%
    Woody 33.52%
    Spice 32.02%
    Minty 30.24%
    Earthy 30.03%
    Wood 29.3%
    Mint 27.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.18 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 53.46 ˚C est.

  • Applications

    2-(3-Methylbut-2-en-2-yl)oxane is used primarily as an intermediate in fragrance and flavor chemistry, enabling design of terpene-like odor notes; it may be incorporated into cosmetic and personal care products as a fragrance ingredient or synthesis building block; in polymer and plastics manufacturing, it can act as a functionalized monomer or reactive intermediate for specialty polymers; in coatings and inks, it can serve as a fragrance additive or processing aid; and in household products, it may contribute scent profiles as a fragrance component within regulated formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1001.69
    methanol 563.61
    isopropanol 1220.86
    water 1.34
    ethyl acetate 1203.08
    n-propanol 1110.03
    acetone 1083.65
    n-butanol 1209.86
    acetonitrile 1625.07
    DMF 704.03
    toluene 1194.06
    isobutanol 954.28
    1,4-dioxane 2166.57
    methyl acetate 1067.04
    THF 2298.22
    2-butanone 1254.15
    n-pentanol 775.15
    sec-butanol 1302.86
    n-hexane 682.03
    ethylene glycol 111.45
    NMP 871.63
    cyclohexane 1186.32
    DMSO 668.91
    n-butyl acetate 1623.32
    n-octanol 838.24
    chloroform 6128.86
    n-propyl acetate 815.21
    acetic acid 851.63
    dichloromethane 4668.14
    cyclohexanone 2024.98
    propylene glycol 245.84
    isopropyl acetate 745.94
    DMAc 721.89
    2-ethoxyethanol 636.94
    isopentanol 1008.12
    n-heptane 812.89
    ethyl formate 890.04
    1,2-dichloroethane 2042.86
    n-hexanol 1490.6
    2-methoxyethanol 773.78
    isobutyl acetate 553.59
    tetrachloromethane 1465.95
    n-pentyl acetate 893.16
    transcutol 1902.62
    n-heptanol 750.24
    ethylbenzene 704.53
    MIBK 670.48
    2-propoxyethanol 1064.98
    tert-butanol 1447.61
    MTBE 1389.76
    2-butoxyethanol 762.8
    propionic acid 826.48
    o-xylene 732.28
    formic acid 127.67
    diethyl ether 1454.58
    m-xylene 736.65
    p-xylene 864.6
    chlorobenzene 1536.0
    dimethyl carbonate 253.89
    n-octane 288.76
    formamide 188.1
    cyclopentanone 1616.11
    2-pentanone 984.21
    anisole 920.65
    cyclopentyl methyl ether 1361.28
    gamma-butyrolactone 1556.66
    1-methoxy-2-propanol 700.9
    pyridine 1964.96
    3-pentanone 848.39
    furfural 1454.49
    n-dodecane 188.39
    diethylene glycol 475.56
    diisopropyl ether 554.64
    tert-amyl alcohol 1220.29
    acetylacetone 782.42
    n-hexadecane 216.84
    acetophenone 761.49
    methyl propionate 712.5
    isopentyl acetate 1285.34
    trichloroethylene 3718.12
    n-nonanol 689.6
    cyclohexanol 1506.67
    benzyl alcohol 673.68
    2-ethylhexanol 1103.68
    isooctanol 616.47
    dipropyl ether 1339.49
    1,2-dichlorobenzene 1336.29
    ethyl lactate 321.56
    propylene carbonate 1173.26
    n-methylformamide 422.94
    2-pentanol 982.96
    n-pentane 618.82
    1-propoxy-2-propanol 991.45
    1-methoxy-2-propyl acetate 788.69
    2-(2-methoxypropoxy) propanol 643.14
    mesitylene 530.35
    ε-caprolactone 1671.4
    p-cymene 669.98
    epichlorohydrin 1928.53
    1,1,1-trichloroethane 2906.55
    2-aminoethanol 304.67
    morpholine-4-carbaldehyde 971.98
    sulfolane 1359.41
    2,2,4-trimethylpentane 257.54
    2-methyltetrahydrofuran 2212.48
    n-hexyl acetate 1236.39
    isooctane 218.4
    2-(2-butoxyethoxy)ethanol 837.77
    sec-butyl acetate 582.02
    tert-butyl acetate 725.87
    decalin 387.94
    glycerin 248.0
    diglyme 1500.2
    acrylic acid 586.61
    isopropyl myristate 554.51
    n-butyric acid 1387.94
    acetyl acetate 734.23
    di(2-ethylhexyl) phthalate 393.89
    ethyl propionate 670.34
    nitromethane 1023.36
    1,2-diethoxyethane 1128.55
    benzonitrile 1433.68
    trioctyl phosphate 316.52
    1-bromopropane 1998.22
    gamma-valerolactone 1624.4
    n-decanol 502.59
    triethyl phosphate 430.56
    4-methyl-2-pentanol 494.87
    propionitrile 1448.64
    vinylene carbonate 1122.83
    1,1,2-trichlorotrifluoroethane 1071.21
    DMS 561.43
    cumene 515.28
    2-octanol 616.36
    2-hexanone 890.7
    octyl acetate 634.94
    limonene 972.66
    1,2-dimethoxyethane 1225.53
    ethyl orthosilicate 427.48
    tributyl phosphate 382.97
    diacetone alcohol 632.24
    N,N-dimethylaniline 615.1
    acrylonitrile 1230.29
    aniline 1045.35
    1,3-propanediol 500.04
    bromobenzene 1770.83
    dibromomethane 3672.31
    1,1,2,2-tetrachloroethane 3004.76
    2-methyl-cyclohexyl acetate 734.16
    tetrabutyl urea 443.46
    diisobutyl methanol 604.78
    2-phenylethanol 795.54
    styrene 857.55
    dioctyl adipate 613.73
    dimethyl sulfate 320.43
    ethyl butyrate 1039.94
    methyl lactate 293.89
    butyl lactate 535.89
    diethyl carbonate 666.87
    propanediol butyl ether 590.17
    triethyl orthoformate 696.39
    p-tert-butyltoluene 603.59
    methyl 4-tert-butylbenzoate 698.08
    morpholine 2014.31
    tert-butylamine 1234.97
    n-dodecanol 395.15
    dimethoxymethane 551.3
    ethylene carbonate 1012.99
    cyrene 461.08
    2-ethoxyethyl acetate 797.01
    2-ethylhexyl acetate 1071.19
    1,2,4-trichlorobenzene 1461.82
    4-methylpyridine 1938.41
    dibutyl ether 1182.58
    2,6-dimethyl-4-heptanol 604.78
    DEF 911.14
    dimethyl isosorbide 969.1
    tetrachloroethylene 1975.88
    eugenol 563.57
    triacetin 788.41
    span 80 701.93
    1,4-butanediol 246.92
    1,1-dichloroethane 2706.41
    2-methyl-1-pentanol 717.16
    methyl formate 375.52
    2-methyl-1-butanol 1028.49
    n-decane 336.73
    butyronitrile 1828.04
    3,7-dimethyl-1-octanol 761.31
    1-chlorooctane 865.27
    1-chlorotetradecane 347.19
    n-nonane 390.15
    undecane 241.01
    tert-butylcyclohexane 352.64
    cyclooctane 436.89
    cyclopentanol 1263.04
    tetrahydropyran 2647.92
    tert-amyl methyl ether 967.86
    2,5,8-trioxanonane 947.27
    1-hexene 1275.18
    2-isopropoxyethanol 541.05
    2,2,2-trifluoroethanol 255.2
    methyl butyrate 911.83

    Scent© AI

1 of 3
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