2-Ethyl-2-methyl-1,3-dioxolane

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  • Identifiers

    CAS number
    126-39-6

    Molecular formula
    C6H12O2

    SMILES
    CCC1(OCCO1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 81.2%
    Ethereal 66.39%
    Sweet 51.45%
    Green 41.91%
    Solvent 40.32%
    Fresh 37.03%
    Woody 35.35%
    Fermented 34.92%
    Mint 33.95%
    Rummy 31.91%

     

    Flavor
    Green 79.66%
    Earthy 57.72%
    Vegetable 55.11%
    Sweet 39.89%
    Potato 33.44%
    Nutty 32.5%
    Raw 31.33%
    Herbal 26.19%
    Fruit 24.57%
    Burnt 23.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.09 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point

    • 17.57 ˚C est.

  • Synonyms

    • 2-Ethyl-2-methyl-1,3-dioxolane
    • 2-Methyl-2-ethyl-1,3-dioxolane
    • 1,3-DIOXOLANE, 2-ETHYL-2-METHYL-
    • Ethyleneacetic acid
    • NSC 829
    • UNII-Y488VJJ1FV
    • EINECS 204-785-2
    • Y488VJJ1FV
    • BRN 0102815
    • AI3-25310
    • NSC-829
    • DTXSID7059565
    • UPZFLZYXYGBAPL-UHFFFAOYSA-
    • 2-BUTANONE ETHYLENE KETAL
    • 5-19-01-00083 (Beilstein Handbook Reference)
    • RefChem:86871
    • DTXCID1033876
    • InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3
    • UPZFLZYXYGBAPL-UHFFFAOYSA-N
    • 126-39-6
    • 2-Ethyl-2-methyldioxolane
    • 2-Methyl-2-ethyldioxolane
    • 2-Butanone, cyclic ethylene acetal
    • 2-Butanone, cyclic 1,2-ethanediyl acetal
    • MFCD00014108
    • 1,3-Dioxolane, ethylmethyl-
    • 2-Butanone ethylene acetal
    • 2-Butanone Ethylene Ketal; 2-Butanone Cyclic 1,2-Ethanediyl Acetal; 2-Ethyl-2-methyldioxolane; 2-Methyl-2-ethyl-1,3-dioxolane; 2-Methyl-2-ethyldioxolane; NSC 829
    • SCHEMBL969840
    • NSC829
    • SCHEMBL1937318
    • SCHEMBL3671124
    • SCHEMBL3671127
    • SCHEMBL8567482
    • 2-Butanone,2-ethanediyl acetal
    • SCHEMBL19437210
    • WLN: T5O COTJ B2 B1
    • MSK158183
    • AKOS015838611
    • FE31674
    • FS-4095
    • MSK158183-1000M
    • 2-Ethyl-2-methyl-1,3-dioxolane, 99%
    • DB-041823
    • CS-0186631
    • E0515
    • NS00024039
    • 1,3-DIOXOLANE, 2-(1-METHYL ETHYL)
    • E77043
    • F094508
    • Q27294245
    • 2-Ethyl-2-methyl-1,3-dioxolane Solution in Methanol, 1000ug/mL
    • 126-39-6

  • Applications

    2-Ethyl-2-methyl-1,3-dioxolane (CAS 126-39-6) is a cyclic acetal that is primarily used as a carbonyl protecting group in organic synthesis, enabling protection of aldehyde/ketone functionality during multi-step sequences. It can also serve as a solvent or co-solvent in chemical manufacturing and formulation development. The compound acts as an intermediate or building block for the synthesis of other acetal derivatives and specialty chemicals. It may function as a building block for polymeric materials bearing acetal functionality, and can be considered as a component or precursor in coatings, inks, and cleaning formulations within industrial applications. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1439.22
    methanol 2023.95
    isopropanol 1038.84
    water 81.16
    ethyl acetate 738.79
    n-propanol 1082.13
    acetone 806.26
    n-butanol 932.65
    acetonitrile 1034.38
    DMF 958.88
    toluene 472.78
    isobutanol 782.45
    1,4-dioxane 1375.45
    methyl acetate 712.38
    THF 1368.89
    2-butanone 727.02
    n-pentanol 603.87
    sec-butanol 967.97
    n-hexane 185.07
    ethylene glycol 428.71
    NMP 885.3
    cyclohexane 246.52
    DMSO 876.49
    n-butyl acetate 272.96
    n-octanol 267.16
    chloroform 2526.79
    n-propyl acetate 288.36
    acetic acid 1138.24
    dichloromethane 2355.44
    cyclohexanone 826.71
    propylene glycol 464.68
    isopropyl acetate 416.57
    DMAc 921.88
    2-ethoxyethanol 879.48
    isopentanol 688.71
    n-heptane 97.3
    ethyl formate 467.92
    1,2-dichloroethane 1034.25
    n-hexanol 461.59
    2-methoxyethanol 1380.45
    isobutyl acetate 195.61
    tetrachloromethane 651.99
    n-pentyl acetate 252.31
    transcutol 1500.5
    n-heptanol 235.61
    ethylbenzene 202.19
    MIBK 306.71
    2-propoxyethanol 740.82
    tert-butanol 980.94
    MTBE 829.24
    2-butoxyethanol 411.99
    propionic acid 788.1
    o-xylene 299.02
    formic acid 803.16
    diethyl ether 963.73
    m-xylene 273.34
    p-xylene 280.11
    chlorobenzene 553.95
    dimethyl carbonate 216.65
    n-octane 44.7
    formamide 885.15
    cyclopentanone 865.66
    2-pentanone 545.95
    anisole 440.38
    cyclopentyl methyl ether 706.61
    gamma-butyrolactone 968.71
    1-methoxy-2-propanol 900.81
    pyridine 991.18
    3-pentanone 475.49
    furfural 900.09
    n-dodecane 38.32
    diethylene glycol 580.68
    diisopropyl ether 269.92
    tert-amyl alcohol 924.91
    acetylacetone 510.23
    n-hexadecane 41.91
    acetophenone 320.69
    methyl propionate 550.46
    isopentyl acetate 244.76
    trichloroethylene 1579.52
    n-nonanol 244.11
    cyclohexanol 742.88
    benzyl alcohol 378.48
    2-ethylhexanol 247.56
    isooctanol 195.67
    dipropyl ether 308.47
    1,2-dichlorobenzene 473.18
    ethyl lactate 185.16
    propylene carbonate 456.14
    n-methylformamide 755.55
    2-pentanol 609.47
    n-pentane 214.38
    1-propoxy-2-propanol 431.78
    1-methoxy-2-propyl acetate 319.6
    2-(2-methoxypropoxy) propanol 350.43
    mesitylene 169.04
    ε-caprolactone 695.9
    p-cymene 130.45
    epichlorohydrin 1113.32
    1,1,1-trichloroethane 1093.99
    2-aminoethanol 805.79
    morpholine-4-carbaldehyde 1025.3
    sulfolane 860.74
    2,2,4-trimethylpentane 101.57
    2-methyltetrahydrofuran 1205.13
    n-hexyl acetate 356.34
    isooctane 60.07
    2-(2-butoxyethoxy)ethanol 463.03
    sec-butyl acetate 239.66
    tert-butyl acetate 373.89
    decalin 103.7
    glycerin 581.1
    diglyme 837.03
    acrylic acid 654.29
    isopropyl myristate 160.42
    n-butyric acid 796.65
    acetyl acetate 443.6
    di(2-ethylhexyl) phthalate 136.84
    ethyl propionate 298.87
    nitromethane 1180.47
    1,2-diethoxyethane 489.79
    benzonitrile 456.6
    trioctyl phosphate 94.31
    1-bromopropane 874.64
    gamma-valerolactone 1097.56
    n-decanol 172.4
    triethyl phosphate 143.37
    4-methyl-2-pentanol 295.97
    propionitrile 805.57
    vinylene carbonate 464.63
    1,1,2-trichlorotrifluoroethane 828.93
    DMS 251.4
    cumene 161.07
    2-octanol 178.42
    2-hexanone 315.59
    octyl acetate 188.3
    limonene 196.1
    1,2-dimethoxyethane 954.58
    ethyl orthosilicate 149.51
    tributyl phosphate 125.96
    diacetone alcohol 400.08
    N,N-dimethylaniline 304.73
    acrylonitrile 816.66
    aniline 673.04
    1,3-propanediol 848.57
    bromobenzene 580.77
    dibromomethane 1588.8
    1,1,2,2-tetrachloroethane 1249.36
    2-methyl-cyclohexyl acetate 202.4
    tetrabutyl urea 158.6
    diisobutyl methanol 142.56
    2-phenylethanol 291.03
    styrene 272.57
    dioctyl adipate 202.87
    dimethyl sulfate 333.47
    ethyl butyrate 249.33
    methyl lactate 274.56
    butyl lactate 174.31
    diethyl carbonate 175.16
    propanediol butyl ether 298.83
    triethyl orthoformate 191.63
    p-tert-butyltoluene 130.88
    methyl 4-tert-butylbenzoate 287.06
    morpholine 1483.99
    tert-butylamine 779.53
    n-dodecanol 128.43
    dimethoxymethane 737.1
    ethylene carbonate 392.85
    cyrene 280.66
    2-ethoxyethyl acetate 322.66
    2-ethylhexyl acetate 202.25
    1,2,4-trichlorobenzene 562.67
    4-methylpyridine 878.26
    dibutyl ether 286.62
    2,6-dimethyl-4-heptanol 142.56
    DEF 666.2
    dimethyl isosorbide 462.38
    tetrachloroethylene 934.88
    eugenol 266.92
    triacetin 311.23
    span 80 291.12
    1,4-butanediol 382.51
    1,1-dichloroethane 1241.66
    2-methyl-1-pentanol 489.99
    methyl formate 460.1
    2-methyl-1-butanol 730.73
    n-decane 62.98
    butyronitrile 745.37
    3,7-dimethyl-1-octanol 257.99
    1-chlorooctane 189.93
    1-chlorotetradecane 80.79
    n-nonane 63.48
    undecane 46.61
    tert-butylcyclohexane 101.94
    cyclooctane 85.42
    cyclopentanol 797.74
    tetrahydropyran 1116.34
    tert-amyl methyl ether 641.53
    2,5,8-trioxanonane 597.65
    1-hexene 372.54
    2-isopropoxyethanol 542.23
    2,2,2-trifluoroethanol 461.35
    methyl butyrate 356.83

    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