4-Methyl-2-(1-methylethyl)-1,3-dioxolane

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  • Identifiers

    CAS number
    67879-60-1

    Molecular formula
    C7H14O2

    SMILES
    CC1COC(O1)C(C)C

  • Odor profile

    Fragrance
    Fruity 88.68%
    Ethereal 79.68%
    Green 77.85%
    Fermented 59.74%
    Alcoholic 45.13%
    Cocoa 45.08%
    Malty 42.81%
    Fresh 35.95%
    Winey 35.4%
    Cognac 32.45%

     

    Flavor
    Green 51.49%
    Vegetable 35.68%
    Earthy 33.34%
    Sweet 27.81%
    Caramel 27.05%
    Roasted 26.61%
    Tropical 26.24%
    Herbal 26.21%
    Musty 25.81%
    Potato 24.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.37 (neutral)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 29.77 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • 2-Isopropyl-4-methyl-1,3-dioxolane
    • 67879-60-1
    • Isobutyraldehyde, propylene glycol acetal
    • 4-methyl-2-propan-2-yl-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-(1-methylethyl)-
    • 4-methyl-2-(propan-2-yl)-1,3-dioxolane
    • 4-Methyl-2-(1-methylethyl)-1,3-dioxolane
    • iso-Butyl aldehyde propylene glycol acetal 2
    • cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane
    • cis-2-Isopropyl-4-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-(1-methylethyl), cis
    • 1,3-Dioxolane, 4-methyl-2-(1-methylethyl), trans
    • UNII-5762LU30BD
    • EINECS 267-550-3
    • SCHEMBL3506544
    • DTXSID50867382
    • CHEBI:179993
    • 5762LU30BD
    • 1, 4-methyl-2-(1-methylethyl)-
    • NSC139443
    • AKOS006275600
    • NSC 139443
    • NSC-139443
    • 2-Isopropyl-4-methyl-1,3-dioxolane #
    • DB-164456
    • iso-Butyl aldehyde propylene glycol acetal 1
    • NS00053283
    • EN300-760991
    • Z1198154966

  • Applications

    4-Methyl-2-(1-methylethyl)-1,3-dioxolane (CAS 67879-60-1) is an acetal derivative of the 1,3-dioxolane ring and is typically used as a protecting group for carbonyl functions in organic synthesis, masking aldehydes or ketones as acetals during multi-step routes. It also serves as an intermediate or building block for the preparation of more complex organic molecules. In industry, it may be employed as a solvent or co-solvent in manufacturing processes and as a precursor for derivatives used in coatings, inks, and adhesives. Additionally, it can be evaluated for use in cosmetics and fragrance applications as a solvent or carrier within formulators, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1470.84
    methanol 2118.9
    isopropanol 1048.14
    water 32.21
    ethyl acetate 867.29
    n-propanol 1098.01
    acetone 1047.33
    n-butanol 1142.11
    acetonitrile 1052.22
    DMF 1014.3
    toluene 481.73
    isobutanol 950.33
    1,4-dioxane 1156.72
    methyl acetate 839.42
    THF 1470.56
    2-butanone 1012.36
    n-pentanol 883.1
    sec-butanol 1053.38
    n-hexane 325.4
    ethylene glycol 501.73
    NMP 945.02
    cyclohexane 294.39
    DMSO 1006.46
    n-butyl acetate 894.41
    n-octanol 689.54
    chloroform 3472.35
    n-propyl acetate 662.01
    acetic acid 1438.77
    dichloromethane 2947.53
    cyclohexanone 1190.98
    propylene glycol 561.45
    isopropyl acetate 651.76
    DMAc 976.0
    2-ethoxyethanol 1158.17
    isopentanol 1091.22
    n-heptane 238.98
    ethyl formate 695.78
    1,2-dichloroethane 1336.92
    n-hexanol 980.66
    2-methoxyethanol 1485.41
    isobutyl acetate 515.75
    tetrachloromethane 962.18
    n-pentyl acetate 607.28
    transcutol 1830.57
    n-heptanol 594.51
    ethylbenzene 335.11
    MIBK 647.61
    2-propoxyethanol 1322.35
    tert-butanol 1237.1
    MTBE 1095.91
    2-butoxyethanol 854.46
    propionic acid 933.18
    o-xylene 400.84
    formic acid 664.2
    diethyl ether 991.76
    m-xylene 397.84
    p-xylene 518.94
    chlorobenzene 739.94
    dimethyl carbonate 299.77
    n-octane 119.59
    formamide 501.67
    cyclopentanone 1160.36
    2-pentanone 848.45
    anisole 576.21
    cyclopentyl methyl ether 886.06
    gamma-butyrolactone 1212.69
    1-methoxy-2-propanol 1110.87
    pyridine 817.95
    3-pentanone 657.87
    furfural 1201.7
    n-dodecane 99.59
    diethylene glycol 935.36
    diisopropyl ether 447.04
    tert-amyl alcohol 1156.31
    acetylacetone 788.36
    n-hexadecane 107.58
    acetophenone 552.33
    methyl propionate 616.34
    isopentyl acetate 815.51
    trichloroethylene 2320.8
    n-nonanol 530.19
    cyclohexanol 889.59
    benzyl alcohol 555.53
    2-ethylhexanol 651.79
    isooctanol 488.07
    dipropyl ether 635.95
    1,2-dichlorobenzene 755.4
    ethyl lactate 386.75
    propylene carbonate 885.42
    n-methylformamide 698.24
    2-pentanol 856.44
    n-pentane 311.91
    1-propoxy-2-propanol 925.8
    1-methoxy-2-propyl acetate 682.14
    2-(2-methoxypropoxy) propanol 566.17
    mesitylene 309.9
    ε-caprolactone 1102.75
    p-cymene 319.18
    epichlorohydrin 1378.08
    1,1,1-trichloroethane 1665.77
    2-aminoethanol 740.14
    morpholine-4-carbaldehyde 1079.06
    sulfolane 1269.22
    2,2,4-trimethylpentane 206.14
    2-methyltetrahydrofuran 1247.6
    n-hexyl acetate 881.03
    isooctane 160.28
    2-(2-butoxyethoxy)ethanol 759.21
    sec-butyl acetate 511.59
    tert-butyl acetate 691.19
    decalin 190.58
    glycerin 729.9
    diglyme 1322.09
    acrylic acid 803.57
    isopropyl myristate 344.29
    n-butyric acid 1252.26
    acetyl acetate 681.22
    di(2-ethylhexyl) phthalate 306.38
    ethyl propionate 539.82
    nitromethane 1316.06
    1,2-diethoxyethane 771.04
    benzonitrile 759.99
    trioctyl phosphate 260.61
    1-bromopropane 1038.34
    gamma-valerolactone 1353.37
    n-decanol 366.07
    triethyl phosphate 304.16
    4-methyl-2-pentanol 569.76
    propionitrile 902.23
    vinylene carbonate 829.94
    1,1,2-trichlorotrifluoroethane 1238.77
    DMS 492.39
    cumene 293.29
    2-octanol 472.6
    2-hexanone 747.12
    octyl acetate 421.37
    limonene 457.61
    1,2-dimethoxyethane 1471.15
    ethyl orthosilicate 315.83
    tributyl phosphate 321.09
    diacetone alcohol 740.6
    N,N-dimethylaniline 455.17
    acrylonitrile 943.53
    aniline 557.01
    1,3-propanediol 902.68
    bromobenzene 820.68
    dibromomethane 2066.14
    1,1,2,2-tetrachloroethane 2011.58
    2-methyl-cyclohexyl acetate 482.99
    tetrabutyl urea 341.11
    diisobutyl methanol 386.33
    2-phenylethanol 599.72
    styrene 389.97
    dioctyl adipate 408.31
    dimethyl sulfate 457.39
    ethyl butyrate 602.35
    methyl lactate 434.81
    butyl lactate 472.03
    diethyl carbonate 407.74
    propanediol butyl ether 729.75
    triethyl orthoformate 448.89
    p-tert-butyltoluene 314.05
    methyl 4-tert-butylbenzoate 542.83
    morpholine 1168.74
    tert-butylamine 959.11
    n-dodecanol 277.56
    dimethoxymethane 800.6
    ethylene carbonate 711.37
    cyrene 482.23
    2-ethoxyethyl acetate 597.79
    2-ethylhexyl acetate 640.9
    1,2,4-trichlorobenzene 879.75
    4-methylpyridine 929.8
    dibutyl ether 644.27
    2,6-dimethyl-4-heptanol 386.33
    DEF 892.71
    dimethyl isosorbide 813.77
    tetrachloroethylene 1539.93
    eugenol 525.56
    triacetin 607.88
    span 80 520.56
    1,4-butanediol 563.96
    1,1-dichloroethane 1589.26
    2-methyl-1-pentanol 837.04
    methyl formate 598.66
    2-methyl-1-butanol 1023.99
    n-decane 159.98
    butyronitrile 1070.45
    3,7-dimethyl-1-octanol 616.94
    1-chlorooctane 468.28
    1-chlorotetradecane 195.54
    n-nonane 174.04
    undecane 119.09
    tert-butylcyclohexane 224.48
    cyclooctane 140.16
    cyclopentanol 874.0
    tetrahydropyran 1088.77
    tert-amyl methyl ether 863.91
    2,5,8-trioxanonane 800.01
    1-hexene 652.97
    2-isopropoxyethanol 861.61
    2,2,2-trifluoroethanol 557.78
    methyl butyrate 785.46

    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

Botanical

Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%