1,3-Dioxolane, 2-hexyl-2-methyl-

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  • Identifiers

    CAS number
    937-94-0

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC1(OCCO1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 72.34%
    Fatty 68.43%
    Green 63.19%
    Floral 54.68%
    Fresh 51.57%
    Sweet 51.11%
    Herbal 49.28%
    Oily 47.5%
    Citrus 46.59%
    Waxy 45.45%

     

    Flavor
    Green 71.14%
    Fruity 47.06%
    Sweet 43.95%
    Earthy 43.08%
    Vegetable 37.95%
    Herbal 35.33%
    Tropical 33.6%
    Fatty 32.5%
    Fruit 31.2%
    Metallic 31.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.72 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point

    • 76.6 ˚C est.

  • Synonyms

    • 2-Hexyl-2-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 2-hexyl-2-methyl-
    • Methyl hexyl ketone ethylene ketal
    • EINECS 213-335-4
    • AI3-22548
    • DTXSID0061329
    • RefChem:72799
    • DTXCID1048883
    • 213-335-4
    • 937-94-0
    • SCHEMBL3790700
    • DA-26183
    • NS00039621
    • 937-94-0

  • Applications

    1,3-Dioxolane, 2-hexyl-2-methyl- (CAS 937-94-0) is a bulky, lipophilic substituted 1,3-dioxolane ring that is typically encountered as an organic-synthesis intermediate and may function as a solvent or processing aid in industrial formulations. It can serve as a ketal protecting group for carbonyl compounds in multi-step syntheses; it may act as a precursor to related fragrance-related materials; in polymer, coatings, inks, and adhesive workflows it could be used as a reactive diluent or processing additive; and it may appear as a building block in specialty plastics or resin systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3885.81
    methanol 3666.16
    isopropanol 3188.86
    water 2.65
    ethyl acetate 3602.32
    n-propanol 3348.67
    acetone 3143.79
    n-butanol 3224.9
    acetonitrile 2575.95
    DMF 1903.18
    toluene 1814.64
    isobutanol 2591.92
    1,4-dioxane 5298.84
    methyl acetate 2465.96
    THF 4948.82
    2-butanone 2883.01
    n-pentanol 2117.25
    sec-butanol 2962.8
    n-hexane 1202.4
    ethylene glycol 627.72
    NMP 1982.98
    cyclohexane 1704.72
    DMSO 2702.42
    n-butyl acetate 2442.11
    n-octanol 963.69
    chloroform 8515.74
    n-propyl acetate 1849.88
    acetic acid 2565.63
    dichloromethane 6461.4
    cyclohexanone 3984.39
    propylene glycol 1039.57
    isopropyl acetate 2501.2
    DMAc 2034.51
    2-ethoxyethanol 2312.82
    isopentanol 2885.43
    n-heptane 510.8
    ethyl formate 1458.62
    1,2-dichloroethane 3547.82
    n-hexanol 2227.2
    2-methoxyethanol 2974.85
    isobutyl acetate 1310.61
    tetrachloromethane 1820.43
    n-pentyl acetate 1424.87
    transcutol 6154.05
    n-heptanol 851.6
    ethylbenzene 828.05
    MIBK 1570.12
    2-propoxyethanol 2761.31
    tert-butanol 3510.29
    MTBE 4057.4
    2-butoxyethanol 1333.43
    propionic acid 2245.67
    o-xylene 983.17
    formic acid 792.44
    diethyl ether 4525.31
    m-xylene 1025.05
    p-xylene 1066.09
    chlorobenzene 2215.52
    dimethyl carbonate 743.03
    n-octane 170.96
    formamide 925.46
    cyclopentanone 3114.94
    2-pentanone 2489.17
    anisole 1489.21
    cyclopentyl methyl ether 3168.24
    gamma-butyrolactone 3193.49
    1-methoxy-2-propanol 2454.35
    pyridine 3671.19
    3-pentanone 2034.38
    furfural 2378.03
    n-dodecane 126.96
    diethylene glycol 1568.55
    diisopropyl ether 1394.6
    tert-amyl alcohol 2923.22
    acetylacetone 2249.33
    n-hexadecane 148.47
    acetophenone 1138.2
    methyl propionate 2040.07
    isopentyl acetate 2074.1
    trichloroethylene 5759.87
    n-nonanol 831.55
    cyclohexanol 3219.42
    benzyl alcohol 1109.46
    2-ethylhexanol 1328.74
    isooctanol 721.5
    dipropyl ether 1876.28
    1,2-dichlorobenzene 1777.92
    ethyl lactate 724.55
    propylene carbonate 1916.97
    n-methylformamide 1322.61
    2-pentanol 2384.96
    n-pentane 915.31
    1-propoxy-2-propanol 1922.5
    1-methoxy-2-propyl acetate 1906.87
    2-(2-methoxypropoxy) propanol 1175.14
    mesitylene 689.66
    ε-caprolactone 3404.19
    p-cymene 520.29
    epichlorohydrin 3568.2
    1,1,1-trichloroethane 4341.67
    2-aminoethanol 1465.83
    morpholine-4-carbaldehyde 2614.73
    sulfolane 2980.3
    2,2,4-trimethylpentane 404.27
    2-methyltetrahydrofuran 4711.23
    n-hexyl acetate 1914.56
    isooctane 273.09
    2-(2-butoxyethoxy)ethanol 1737.69
    sec-butyl acetate 1492.04
    tert-butyl acetate 2268.68
    decalin 560.35
    glycerin 1123.71
    diglyme 2893.63
    acrylic acid 1551.81
    isopropyl myristate 689.82
    n-butyric acid 3332.64
    acetyl acetate 2201.77
    di(2-ethylhexyl) phthalate 534.89
    ethyl propionate 1687.5
    nitromethane 2831.27
    1,2-diethoxyethane 2827.82
    benzonitrile 1582.7
    trioctyl phosphate 395.95
    1-bromopropane 3276.47
    gamma-valerolactone 3536.06
    n-decanol 587.74
    triethyl phosphate 595.27
    4-methyl-2-pentanol 1205.44
    propionitrile 2577.53
    vinylene carbonate 1747.78
    1,1,2-trichlorotrifluoroethane 2660.64
    DMS 1229.16
    cumene 543.39
    2-octanol 650.58
    2-hexanone 1647.49
    octyl acetate 811.5
    limonene 919.49
    1,2-dimethoxyethane 3367.42
    ethyl orthosilicate 649.04
    tributyl phosphate 573.39
    diacetone alcohol 1604.59
    N,N-dimethylaniline 869.19
    acrylonitrile 2278.79
    aniline 1989.15
    1,3-propanediol 1903.75
    bromobenzene 2566.38
    dibromomethane 4890.08
    1,1,2,2-tetrachloroethane 5217.83
    2-methyl-cyclohexyl acetate 1070.87
    tetrabutyl urea 623.82
    diisobutyl methanol 679.14
    2-phenylethanol 1093.99
    styrene 1119.45
    dioctyl adipate 895.73
    dimethyl sulfate 1006.79
    ethyl butyrate 1516.63
    methyl lactate 825.0
    butyl lactate 891.51
    diethyl carbonate 915.02
    propanediol butyl ether 1170.23
    triethyl orthoformate 1072.68
    p-tert-butyltoluene 525.45
    methyl 4-tert-butylbenzoate 957.67
    morpholine 5536.15
    tert-butylamine 2834.15
    n-dodecanol 443.0
    dimethoxymethane 1938.11
    ethylene carbonate 1822.39
    cyrene 797.26
    2-ethoxyethyl acetate 1606.84
    2-ethylhexyl acetate 1673.97
    1,2,4-trichlorobenzene 2049.72
    4-methylpyridine 3144.55
    dibutyl ether 1595.36
    2,6-dimethyl-4-heptanol 679.14
    DEF 2416.73
    dimethyl isosorbide 1560.11
    tetrachloroethylene 3451.22
    eugenol 797.24
    triacetin 1500.62
    span 80 1139.77
    1,4-butanediol 823.41
    1,1-dichloroethane 4306.64
    2-methyl-1-pentanol 1826.8
    methyl formate 873.13
    2-methyl-1-butanol 2632.05
    n-decane 237.28
    butyronitrile 2670.25
    3,7-dimethyl-1-octanol 1034.59
    1-chlorooctane 775.15
    1-chlorotetradecane 313.96
    n-nonane 252.17
    undecane 164.47
    tert-butylcyclohexane 475.34
    cyclooctane 500.54
    cyclopentanol 2639.88
    tetrahydropyran 6039.03
    tert-amyl methyl ether 2465.33
    2,5,8-trioxanonane 1792.42
    1-hexene 2462.22
    2-isopropoxyethanol 1722.61
    2,2,2-trifluoroethanol 830.12
    methyl butyrate 2030.0

    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