4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane

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  • Identifiers

    CAS number
    648434-55-3

    Molecular formula
    C9H16O2

    SMILES
    CCCC=CC1OCC(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 90.58%
    Fruity 79.71%
    Fresh 50.31%
    Fatty 48.76%
    Apple 47.86%
    Tropical 44.18%
    Vegetable 37.87%
    Melon 35.27%
    Sweet 35.11%
    Waxy 33.58%

     

    Flavor
    Green 65.63%
    Fresh 34.55%
    Tropical 33.35%
    Herbal 32.85%
    Fruity 31.12%
    Fatty 29.14%
    Vegetable 27.25%
    Oily 26.96%
    Floral 26.49%
    Metallic 26.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.27 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 68.5 ˚C est.

  • Synonyms

    • 648434-55-3
    • DTXSID50869184
    • 4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
    • RefChem:525035
    • DTXCID10817202
    • 4-methyl-2-pent-1-enyl-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-(1-pentenyl)-
    • DB-279055
    • 4-METHYL-2-(PENT-1-EN-1-YL)-1,3-DIOXOLANE
    • 648434-55-3

  • Applications

    Chemical name: 4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane; CAS number: 648434-55-3. This compound is primarily used as an organic synthesis intermediate and building block for specialty chemicals. In perfumery and flavor industries, it serves as a precursor to fragrance and flavor compounds or as a protected-aldehyde synthon enabling selective transformations. It may be used in cosmetics/personal care as a fragrance ingredient or aroma compound. In industrial manufacturing, it is employed as a precursor for the synthesis of polymers and other specialty chemicals; it can function as a reactive intermediate in coatings and inks formulations. It may also be encountered in household products as a fragrance formulation component, depending on local regulations and formulation practices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2038.63
    methanol 1903.58
    isopropanol 1555.67
    water 2.39
    ethyl acetate 1196.1
    n-propanol 1355.27
    acetone 1113.52
    n-butanol 1450.85
    acetonitrile 948.64
    DMF 780.79
    toluene 471.25
    isobutanol 1074.08
    1,4-dioxane 1768.04
    methyl acetate 769.53
    THF 1938.48
    2-butanone 754.5
    n-pentanol 946.2
    sec-butanol 1167.57
    n-hexane 290.93
    ethylene glycol 404.8
    NMP 724.18
    cyclohexane 475.23
    DMSO 1157.63
    n-butyl acetate 967.02
    n-octanol 518.81
    chloroform 3416.42
    n-propyl acetate 576.32
    acetic acid 1634.84
    dichloromethane 2592.68
    cyclohexanone 1119.11
    propylene glycol 586.59
    isopropyl acetate 766.91
    DMAc 696.68
    2-ethoxyethanol 916.6
    isopentanol 1244.55
    n-heptane 189.12
    ethyl formate 577.37
    1,2-dichloroethane 1247.38
    n-hexanol 1222.9
    2-methoxyethanol 1390.69
    isobutyl acetate 433.25
    tetrachloromethane 614.59
    n-pentyl acetate 503.37
    transcutol 2580.85
    n-heptanol 430.13
    ethylbenzene 244.66
    MIBK 525.57
    2-propoxyethanol 1342.44
    tert-butanol 1770.64
    MTBE 1290.32
    2-butoxyethanol 620.7
    propionic acid 891.95
    o-xylene 292.3
    formic acid 456.02
    diethyl ether 1360.51
    m-xylene 350.38
    p-xylene 327.21
    chlorobenzene 657.45
    dimethyl carbonate 261.42
    n-octane 69.09
    formamide 420.71
    cyclopentanone 1008.42
    2-pentanone 784.23
    anisole 499.46
    cyclopentyl methyl ether 971.84
    gamma-butyrolactone 1110.21
    1-methoxy-2-propanol 1152.37
    pyridine 1038.51
    3-pentanone 521.61
    furfural 911.2
    n-dodecane 67.94
    diethylene glycol 948.37
    diisopropyl ether 420.93
    tert-amyl alcohol 1237.95
    acetylacetone 798.73
    n-hexadecane 74.79
    acetophenone 422.19
    methyl propionate 622.24
    isopentyl acetate 802.67
    trichloroethylene 2176.0
    n-nonanol 421.04
    cyclohexanol 1184.36
    benzyl alcohol 480.61
    2-ethylhexanol 631.38
    isooctanol 348.94
    dipropyl ether 635.54
    1,2-dichlorobenzene 567.7
    ethyl lactate 297.94
    propylene carbonate 769.1
    n-methylformamide 469.39
    2-pentanol 1043.61
    n-pentane 311.19
    1-propoxy-2-propanol 903.45
    1-methoxy-2-propyl acetate 706.86
    2-(2-methoxypropoxy) propanol 581.09
    mesitylene 249.22
    ε-caprolactone 1009.71
    p-cymene 213.94
    epichlorohydrin 1322.23
    1,1,1-trichloroethane 1444.83
    2-aminoethanol 740.5
    morpholine-4-carbaldehyde 920.38
    sulfolane 1096.32
    2,2,4-trimethylpentane 134.44
    2-methyltetrahydrofuran 1527.82
    n-hexyl acetate 762.54
    isooctane 111.89
    2-(2-butoxyethoxy)ethanol 812.43
    sec-butyl acetate 424.71
    tert-butyl acetate 697.42
    decalin 164.2
    glycerin 651.81
    diglyme 1219.42
    acrylic acid 687.25
    isopropyl myristate 283.6
    n-butyric acid 1545.34
    acetyl acetate 766.33
    di(2-ethylhexyl) phthalate 268.24
    ethyl propionate 478.88
    nitromethane 1159.09
    1,2-diethoxyethane 997.33
    benzonitrile 598.07
    trioctyl phosphate 202.38
    1-bromopropane 1102.99
    gamma-valerolactone 1141.83
    n-decanol 302.86
    triethyl phosphate 237.17
    4-methyl-2-pentanol 517.24
    propionitrile 781.92
    vinylene carbonate 683.67
    1,1,2-trichlorotrifluoroethane 1114.62
    DMS 446.37
    cumene 193.24
    2-octanol 305.11
    2-hexanone 549.47
    octyl acetate 353.4
    limonene 362.78
    1,2-dimethoxyethane 1210.21
    ethyl orthosilicate 253.6
    tributyl phosphate 253.03
    diacetone alcohol 647.37
    N,N-dimethylaniline 326.06
    acrylonitrile 681.42
    aniline 623.12
    1,3-propanediol 1002.87
    bromobenzene 749.54
    dibromomethane 1930.21
    1,1,2,2-tetrachloroethane 1853.3
    2-methyl-cyclohexyl acetate 433.81
    tetrabutyl urea 282.21
    diisobutyl methanol 320.63
    2-phenylethanol 546.82
    styrene 338.97
    dioctyl adipate 380.9
    dimethyl sulfate 338.52
    ethyl butyrate 546.74
    methyl lactate 378.55
    butyl lactate 367.38
    diethyl carbonate 369.01
    propanediol butyl ether 649.93
    triethyl orthoformate 389.6
    p-tert-butyltoluene 215.65
    methyl 4-tert-butylbenzoate 406.61
    morpholine 1876.17
    tert-butylamine 1235.88
    n-dodecanol 232.81
    dimethoxymethane 746.13
    ethylene carbonate 634.88
    cyrene 405.27
    2-ethoxyethyl acetate 606.41
    2-ethylhexyl acetate 592.46
    1,2,4-trichlorobenzene 652.84
    4-methylpyridine 991.82
    dibutyl ether 561.71
    2,6-dimethyl-4-heptanol 320.63
    DEF 752.36
    dimethyl isosorbide 731.8
    tetrachloroethylene 1279.93
    eugenol 410.79
    triacetin 596.12
    span 80 581.38
    1,4-butanediol 470.4
    1,1-dichloroethane 1655.27
    2-methyl-1-pentanol 795.2
    methyl formate 368.44
    2-methyl-1-butanol 1056.84
    n-decane 104.91
    butyronitrile 1051.5
    3,7-dimethyl-1-octanol 459.11
    1-chlorooctane 327.36
    1-chlorotetradecane 141.51
    n-nonane 109.03
    undecane 80.41
    tert-butylcyclohexane 154.92
    cyclooctane 142.02
    cyclopentanol 969.05
    tetrahydropyran 1819.49
    tert-amyl methyl ether 742.17
    2,5,8-trioxanonane 865.49
    1-hexene 696.72
    2-isopropoxyethanol 697.44
    2,2,2-trifluoroethanol 429.8
    methyl butyrate 604.75

    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