2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane

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  • Identifiers

    CAS number
    68258-95-7

    Molecular formula
    C11H20O2

    SMILES
    CC1COC(O1)(C)CCC=C(C)C

  • Odor profile

    Fragrance
    Green 79.43%
    Fruity 69.64%
    Citrus 58.22%
    Fatty 53.4%
    Herbal 45.54%
    Fresh 45.36%
    Floral 42.01%
    Sweet 36.35%
    Lemon 34.13%
    Tropical 32.72%

     

    Flavor
    Green 84.76%
    Earthy 45.99%
    Herbal 41.31%
    Floral 36.04%
    Minty 30.97%
    Vegetable 29.87%
    Tropical 29.46%
    Spicy 28.06%
    Pepper 25.53%
    Leaf 25.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.52 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 67.92 ˚C est.

  • Synonyms

    • 2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
    • 68258-95-7
    • 6-Methyl-5-hepten-2-one propyleneglycol acetal
    • 2,4-Dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxolane
    • 1,3-Dioxolane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)-
    • 6-methyl-5-hepten-2-one propylene glycol acetal
    • 1,3-Dioxolane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
    • 2,4-Dimethyl-2-(4-methyl-3-penten-1-yl)-1,3-Dioxolane
    • EINECS 269-499-2
    • UNII-KMW9N3MKY5
    • KMW9N3MKY5
    • SCHEMBL3504614
    • DTXSID90867548
    • CHEBI:172074
    • WBZMYLUNPPFHTA-UHFFFAOYSA-N
    • DB-239531
    • NS00061237
    • 2,4-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)-1,3-DIOXOLANE

  • Applications

    Chemical name: 2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane (CAS 68258-95-7) is typically used as a fragrance ingredient and an aroma intermediate in perfumery and cosmetics; it can serve as an odorant in personal care and household products, and is occasionally employed as a fixative or aroma-enhancer in fragrance formulations; it also functions as an intermediate in industrial manufacturing for the synthesis of additional fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2374.99
    methanol 2299.39
    isopropanol 2043.81
    water 21.03
    ethyl acetate 2322.24
    n-propanol 1828.29
    acetone 1578.23
    n-butanol 2037.01
    acetonitrile 1435.46
    DMF 1413.78
    toluene 1273.28
    isobutanol 1545.28
    1,4-dioxane 3625.13
    methyl acetate 1549.22
    THF 3087.53
    2-butanone 1433.75
    n-pentanol 1261.77
    sec-butanol 1860.82
    n-hexane 535.11
    ethylene glycol 484.43
    NMP 1714.53
    cyclohexane 861.47
    DMSO 1116.02
    n-butyl acetate 1348.12
    n-octanol 1023.43
    chloroform 5368.8
    n-propyl acetate 941.34
    acetic acid 2148.62
    dichloromethane 3883.54
    cyclohexanone 2148.79
    propylene glycol 712.38
    isopropyl acetate 1645.41
    DMAc 1899.17
    2-ethoxyethanol 1464.18
    isopentanol 1766.62
    n-heptane 352.53
    ethyl formate 966.68
    1,2-dichloroethane 1840.69
    n-hexanol 1782.52
    2-methoxyethanol 2042.36
    isobutyl acetate 727.55
    tetrachloromethane 1093.94
    n-pentyl acetate 973.17
    transcutol 5010.82
    n-heptanol 805.51
    ethylbenzene 615.28
    MIBK 893.99
    2-propoxyethanol 2139.76
    tert-butanol 2272.42
    MTBE 2445.51
    2-butoxyethanol 1194.12
    propionic acid 1387.84
    o-xylene 812.01
    formic acid 814.39
    diethyl ether 2378.93
    m-xylene 848.86
    p-xylene 782.44
    chlorobenzene 1253.52
    dimethyl carbonate 604.36
    n-octane 140.03
    formamide 849.95
    cyclopentanone 1612.03
    2-pentanone 1347.03
    anisole 1056.19
    cyclopentyl methyl ether 2026.5
    gamma-butyrolactone 1808.85
    1-methoxy-2-propanol 1745.64
    pyridine 1661.3
    3-pentanone 1159.67
    furfural 1609.21
    n-dodecane 138.8
    diethylene glycol 1368.1
    diisopropyl ether 907.16
    tert-amyl alcohol 2065.5
    acetylacetone 1412.71
    n-hexadecane 157.06
    acetophenone 857.29
    methyl propionate 1401.27
    isopentyl acetate 1255.89
    trichloroethylene 3321.51
    n-nonanol 905.33
    cyclohexanol 2070.0
    benzyl alcohol 796.62
    2-ethylhexanol 951.33
    isooctanol 628.04
    dipropyl ether 1093.75
    1,2-dichlorobenzene 1110.27
    ethyl lactate 480.39
    propylene carbonate 1291.54
    n-methylformamide 827.57
    2-pentanol 1568.27
    n-pentane 522.71
    1-propoxy-2-propanol 1442.56
    1-methoxy-2-propyl acetate 1448.96
    2-(2-methoxypropoxy) propanol 1104.98
    mesitylene 513.47
    ε-caprolactone 2173.75
    p-cymene 398.25
    epichlorohydrin 2237.21
    1,1,1-trichloroethane 2371.81
    2-aminoethanol 971.23
    morpholine-4-carbaldehyde 2267.27
    sulfolane 1526.1
    2,2,4-trimethylpentane 292.65
    2-methyltetrahydrofuran 3005.63
    n-hexyl acetate 1728.52
    isooctane 184.0
    2-(2-butoxyethoxy)ethanol 1615.58
    sec-butyl acetate 880.1
    tert-butyl acetate 1481.64
    decalin 351.15
    glycerin 857.33
    diglyme 2364.79
    acrylic acid 987.57
    isopropyl myristate 593.55
    n-butyric acid 2104.82
    acetyl acetate 1638.46
    di(2-ethylhexyl) phthalate 489.49
    ethyl propionate 957.16
    nitromethane 2158.93
    1,2-diethoxyethane 1857.53
    benzonitrile 950.59
    trioctyl phosphate 339.62
    1-bromopropane 1575.48
    gamma-valerolactone 2373.37
    n-decanol 639.96
    triethyl phosphate 444.14
    4-methyl-2-pentanol 895.8
    propionitrile 1134.33
    vinylene carbonate 1197.34
    1,1,2-trichlorotrifluoroethane 1853.65
    DMS 974.91
    cumene 432.23
    2-octanol 611.67
    2-hexanone 848.06
    octyl acetate 775.12
    limonene 682.26
    1,2-dimethoxyethane 1894.87
    ethyl orthosilicate 487.67
    tributyl phosphate 445.0
    diacetone alcohol 1128.44
    N,N-dimethylaniline 695.5
    acrylonitrile 982.58
    aniline 1261.82
    1,3-propanediol 1298.96
    bromobenzene 1357.95
    dibromomethane 2643.43
    1,1,2,2-tetrachloroethane 2838.58
    2-methyl-cyclohexyl acetate 789.56
    tetrabutyl urea 525.39
    diisobutyl methanol 452.78
    2-phenylethanol 940.84
    styrene 723.23
    dioctyl adipate 711.29
    dimethyl sulfate 715.66
    ethyl butyrate 917.84
    methyl lactate 622.08
    butyl lactate 640.23
    diethyl carbonate 644.54
    propanediol butyl ether 1045.9
    triethyl orthoformate 721.98
    p-tert-butyltoluene 395.4
    methyl 4-tert-butylbenzoate 857.27
    morpholine 3406.31
    tert-butylamine 1708.21
    n-dodecanol 483.52
    dimethoxymethane 1451.53
    ethylene carbonate 1152.91
    cyrene 723.02
    2-ethoxyethyl acetate 1258.27
    2-ethylhexyl acetate 1063.67
    1,2,4-trichlorobenzene 1338.2
    4-methylpyridine 1900.34
    dibutyl ether 1136.55
    2,6-dimethyl-4-heptanol 452.78
    DEF 1588.01
    dimethyl isosorbide 1395.45
    tetrachloroethylene 1883.84
    eugenol 680.93
    triacetin 1314.75
    span 80 1025.07
    1,4-butanediol 583.2
    1,1-dichloroethane 2360.57
    2-methyl-1-pentanol 1170.21
    methyl formate 649.83
    2-methyl-1-butanol 1688.3
    n-decane 231.0
    butyronitrile 1371.52
    3,7-dimethyl-1-octanol 863.31
    1-chlorooctane 704.33
    1-chlorotetradecane 305.83
    n-nonane 227.58
    undecane 171.81
    tert-butylcyclohexane 328.59
    cyclooctane 335.18
    cyclopentanol 1574.62
    tetrahydropyran 3275.29
    tert-amyl methyl ether 1784.75
    2,5,8-trioxanonane 1560.85
    1-hexene 990.61
    2-isopropoxyethanol 1164.13
    2,2,2-trifluoroethanol 781.59
    methyl butyrate 1030.32

    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