4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane

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  • Identifiers

    CAS number
    71348-47-5

    Molecular formula
    C9H16O2

    SMILES
    CC/C=C(\C)/C1OCC(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 85.22%
    Fruity 53.02%
    Herbal 45.5%
    Fresh 43.26%
    Spicy 38.19%
    Fatty 35.7%
    Vegetable 35.14%
    Ethereal 33.5%
    Leafy 29.84%
    Apple 28.11%

     

    Flavor
    Green 69.18%
    Herbal 48.17%
    Minty 35.24%
    Earthy 32.39%
    Spicy 32.27%
    Tropical 27.67%
    Spice 27.54%
    Floral 26.89%
    Nutty 25.76%
    Caramel 24.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.34 (weak base)

    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

    • 61.41 ˚C est.

  • Synonyms

    • 4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane
    • EINECS 275-352-3
    • 71348-47-5
    • SCHEMBL11053911
    • 71348-47-5

  • Applications

    4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane (CAS 71348-47-5) may be used as a fragrance-related ingredient and a synthesis intermediate; in perfumery and cosmetics, it can function as an odorant or aroma component and may serve as a fragrance fixative or precursor in formulated products. In household products, it may be added as a fragrance additive to impart or stabilize scent in cleaners, air fresheners, and detergents. In industrial manufacturing, the compound may act as a solvent or intermediate for the synthesis and formulation of specialty chemicals, including as a building block for aroma-related compounds, with usage governed by formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1754.1
    methanol 2094.31
    isopropanol 1335.19
    water 10.45
    ethyl acetate 701.09
    n-propanol 1377.52
    acetone 723.51
    n-butanol 1488.07
    acetonitrile 997.83
    DMF 730.02
    toluene 640.35
    isobutanol 1162.37
    1,4-dioxane 1267.39
    methyl acetate 602.04
    THF 1313.23
    2-butanone 675.44
    n-pentanol 1208.09
    sec-butanol 1285.16
    n-hexane 349.97
    ethylene glycol 388.59
    NMP 653.81
    cyclohexane 451.61
    DMSO 657.78
    n-butyl acetate 837.87
    n-octanol 715.83
    chloroform 4273.14
    n-propyl acetate 546.74
    acetic acid 1297.26
    dichloromethane 3023.81
    cyclohexanone 948.65
    propylene glycol 436.09
    isopropyl acetate 493.56
    DMAc 712.77
    2-ethoxyethanol 1115.16
    isopentanol 1251.04
    n-heptane 277.42
    ethyl formate 579.22
    1,2-dichloroethane 1137.56
    n-hexanol 1312.75
    2-methoxyethanol 1322.34
    isobutyl acetate 405.81
    tetrachloromethane 840.85
    n-pentyl acetate 534.32
    transcutol 1830.46
    n-heptanol 639.38
    ethylbenzene 418.58
    MIBK 487.27
    2-propoxyethanol 1271.87
    tert-butanol 1443.92
    MTBE 1045.25
    2-butoxyethanol 787.36
    propionic acid 754.65
    o-xylene 415.84
    formic acid 470.63
    diethyl ether 982.65
    m-xylene 447.71
    p-xylene 560.73
    chlorobenzene 768.72
    dimethyl carbonate 209.23
    n-octane 113.8
    formamide 422.61
    cyclopentanone 789.39
    2-pentanone 624.87
    anisole 621.48
    cyclopentyl methyl ether 750.85
    gamma-butyrolactone 787.85
    1-methoxy-2-propanol 916.99
    pyridine 1020.54
    3-pentanone 465.76
    furfural 899.71
    n-dodecane 100.24
    diethylene glycol 833.92
    diisopropyl ether 346.25
    tert-amyl alcohol 1207.89
    acetylacetone 517.37
    n-hexadecane 108.46
    acetophenone 518.58
    methyl propionate 442.66
    isopentyl acetate 734.12
    trichloroethylene 2205.34
    n-nonanol 567.98
    cyclohexanol 1066.49
    benzyl alcohol 633.08
    2-ethylhexanol 749.64
    isooctanol 499.46
    dipropyl ether 625.37
    1,2-dichlorobenzene 689.32
    ethyl lactate 301.98
    propylene carbonate 640.93
    n-methylformamide 493.34
    2-pentanol 967.06
    n-pentane 359.99
    1-propoxy-2-propanol 832.61
    1-methoxy-2-propyl acetate 509.73
    2-(2-methoxypropoxy) propanol 591.15
    mesitylene 316.5
    ε-caprolactone 873.04
    p-cymene 328.0
    epichlorohydrin 1079.29
    1,1,1-trichloroethane 1366.21
    2-aminoethanol 730.31
    morpholine-4-carbaldehyde 852.06
    sulfolane 777.1
    2,2,4-trimethylpentane 189.73
    2-methyltetrahydrofuran 1187.76
    n-hexyl acetate 776.03
    isooctane 145.92
    2-(2-butoxyethoxy)ethanol 727.62
    sec-butyl acetate 411.45
    tert-butyl acetate 514.11
    decalin 203.38
    glycerin 560.9
    diglyme 1225.07
    acrylic acid 604.59
    isopropyl myristate 321.44
    n-butyric acid 1121.42
    acetyl acetate 502.96
    di(2-ethylhexyl) phthalate 299.93
    ethyl propionate 429.33
    nitromethane 895.73
    1,2-diethoxyethane 749.48
    benzonitrile 874.4
    trioctyl phosphate 234.13
    1-bromopropane 1111.01
    gamma-valerolactone 953.19
    n-decanol 401.18
    triethyl phosphate 271.32
    4-methyl-2-pentanol 573.82
    propionitrile 849.17
    vinylene carbonate 629.35
    1,1,2-trichlorotrifluoroethane 989.25
    DMS 364.66
    cumene 327.49
    2-octanol 468.46
    2-hexanone 590.12
    octyl acetate 406.85
    limonene 461.28
    1,2-dimethoxyethane 1390.93
    ethyl orthosilicate 292.09
    tributyl phosphate 274.06
    diacetone alcohol 514.45
    N,N-dimethylaniline 456.52
    acrylonitrile 798.34
    aniline 650.76
    1,3-propanediol 998.19
    bromobenzene 862.43
    dibromomethane 2184.14
    1,1,2,2-tetrachloroethane 1802.49
    2-methyl-cyclohexyl acetate 443.68
    tetrabutyl urea 309.15
    diisobutyl methanol 367.1
    2-phenylethanol 658.57
    styrene 512.8
    dioctyl adipate 385.76
    dimethyl sulfate 279.43
    ethyl butyrate 546.41
    methyl lactate 294.71
    butyl lactate 378.22
    diethyl carbonate 390.24
    propanediol butyl ether 646.63
    triethyl orthoformate 407.77
    p-tert-butyltoluene 318.4
    methyl 4-tert-butylbenzoate 486.84
    morpholine 1372.47
    tert-butylamine 1180.59
    n-dodecanol 303.97
    dimethoxymethane 612.08
    ethylene carbonate 542.01
    cyrene 442.37
    2-ethoxyethyl acetate 528.6
    2-ethylhexyl acetate 591.9
    1,2,4-trichlorobenzene 760.1
    4-methylpyridine 1061.51
    dibutyl ether 592.52
    2,6-dimethyl-4-heptanol 367.1
    DEF 676.33
    dimethyl isosorbide 699.05
    tetrachloroethylene 1356.64
    eugenol 487.78
    triacetin 513.86
    span 80 531.98
    1,4-butanediol 564.25
    1,1-dichloroethane 1490.67
    2-methyl-1-pentanol 1054.37
    methyl formate 383.19
    2-methyl-1-butanol 1195.41
    n-decane 157.88
    butyronitrile 1162.72
    3,7-dimethyl-1-octanol 606.56
    1-chlorooctane 456.41
    1-chlorotetradecane 193.83
    n-nonane 165.52
    undecane 119.79
    tert-butylcyclohexane 209.65
    cyclooctane 173.71
    cyclopentanol 894.68
    tetrahydropyran 1346.38
    tert-amyl methyl ether 736.26
    2,5,8-trioxanonane 813.04
    1-hexene 797.48
    2-isopropoxyethanol 792.31
    2,2,2-trifluoroethanol 386.29
    methyl butyrate 603.81

    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