1,3-Dioxolane, 2-(1-methylbutyl)-

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  • Identifiers

    CAS number
    17155-65-6

    Molecular formula
    C8H16O2

    SMILES
    CCCC(C)C1OCCO1

    Safety labels

  • Odor profile

    Fragrance
    Green 88.97%
    Fruity 53.75%
    Fresh 41.89%
    Ethereal 41.6%
    Fermented 38.79%
    Fatty 34.62%
    Herbal 31.94%
    Oily 31.44%
    Cocoa 30.45%
    Alcoholic 30.15%

     

    Flavor
    Green 55.3%
    Herbal 33.34%
    Tropical 31.75%
    Vegetable 30.51%
    Metallic 27.48%
    Earthy 26.88%
    Minty 25.47%
    Oily 24.1%
    Roasted 23.49%
    Burnt 22.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.31 (neutral)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 52.94 ˚C est.

  • Synonyms

    • 1,3-Dioxolane, 2-(1-methylbutyl)-
    • 17155-65-6
    • 2-Methylpentanal, ethylene glycol acetal
    • EINECS 241-212-5
    • DTXSID40884962
    • RefChem:414875
    • DTXCID601024378
    • 2-pentan-2-yl-1,3-dioxolane
    • 2-(pentan-2-yl)-1,3-dioxolane
    • SCHEMBL12488040
    • SCHEMBL21038287
    • QSGQDHBXWPACTQ-UHFFFAOYSA-N
    • AKOS006292244
    • 17155-65-6

  • Applications

    1,3-Dioxolane, 2-(1-methylbutyl)- (CAS 17155-65-6) is a cyclic acetal derivative used primarily as an intermediate in organic synthesis, enabling carbonyl protection (acetal formation) in various reaction sequences. In industry, it can serve as a solvent or co-solvent in manufacturing processes involving polymers, coatings, and adhesives. It is also a potential building block for other derivatives used in pharmaceutical or agrochemical synthesis. In the fragrance field, such dioxolane derivatives may be explored as fragrance ingredients or odorants and sometimes as fixatives. Additionally, it can be evaluated as a processing aid or solvent in coatings, inks, and cleaning formulations, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3941.65
    methanol 4963.49
    isopropanol 2393.0
    water 7.09
    ethyl acetate 1147.36
    n-propanol 2445.01
    acetone 1201.0
    n-butanol 2335.56
    acetonitrile 1921.06
    DMF 978.61
    toluene 711.1
    isobutanol 1683.88
    1,4-dioxane 2109.67
    methyl acetate 943.78
    THF 2495.76
    2-butanone 992.5
    n-pentanol 1681.5
    sec-butanol 1749.64
    n-hexane 393.06
    ethylene glycol 618.32
    NMP 776.22
    cyclohexane 632.6
    DMSO 1198.31
    n-butyl acetate 1679.92
    n-octanol 753.53
    chloroform 6416.24
    n-propyl acetate 957.52
    acetic acid 2650.64
    dichloromethane 5376.94
    cyclohexanone 1506.71
    propylene glycol 676.26
    isopropyl acetate 710.0
    DMAc 637.08
    2-ethoxyethanol 1577.3
    isopentanol 1667.75
    n-heptane 443.91
    ethyl formate 1155.42
    1,2-dichloroethane 1928.69
    n-hexanol 2041.75
    2-methoxyethanol 2136.61
    isobutyl acetate 610.32
    tetrachloromethane 1216.46
    n-pentyl acetate 761.88
    transcutol 2415.59
    n-heptanol 797.78
    ethylbenzene 406.51
    MIBK 569.72
    2-propoxyethanol 1997.45
    tert-butanol 1989.18
    MTBE 1241.55
    2-butoxyethanol 1025.67
    propionic acid 1286.06
    o-xylene 384.82
    formic acid 938.29
    diethyl ether 1503.34
    m-xylene 432.74
    p-xylene 541.75
    chlorobenzene 1087.01
    dimethyl carbonate 233.93
    n-octane 137.16
    formamide 828.01
    cyclopentanone 1209.66
    2-pentanone 880.46
    anisole 695.33
    cyclopentyl methyl ether 1095.32
    gamma-butyrolactone 1432.21
    1-methoxy-2-propanol 1239.44
    pyridine 1730.4
    3-pentanone 548.49
    furfural 1398.56
    n-dodecane 99.96
    diethylene glycol 1195.57
    diisopropyl ether 411.11
    tert-amyl alcohol 1419.8
    acetylacetone 667.39
    n-hexadecane 109.42
    acetophenone 562.0
    methyl propionate 625.35
    isopentyl acetate 1195.06
    trichloroethylene 3259.63
    n-nonanol 610.94
    cyclohexanol 1534.97
    benzyl alcohol 757.35
    2-ethylhexanol 1101.68
    isooctanol 585.3
    dipropyl ether 1147.25
    1,2-dichlorobenzene 921.89
    ethyl lactate 373.12
    propylene carbonate 1068.53
    n-methylformamide 935.4
    2-pentanol 1279.56
    n-pentane 460.82
    1-propoxy-2-propanol 1376.03
    1-methoxy-2-propyl acetate 767.01
    2-(2-methoxypropoxy) propanol 625.61
    mesitylene 294.41
    ε-caprolactone 1365.26
    p-cymene 388.14
    epichlorohydrin 1896.55
    1,1,1-trichloroethane 2013.02
    2-aminoethanol 1208.7
    morpholine-4-carbaldehyde 1064.93
    sulfolane 1156.51
    2,2,4-trimethylpentane 177.69
    2-methyltetrahydrofuran 1945.33
    n-hexyl acetate 935.91
    isooctane 150.29
    2-(2-butoxyethoxy)ethanol 838.5
    sec-butyl acetate 573.78
    tert-butyl acetate 617.55
    decalin 212.83
    glycerin 731.29
    diglyme 1557.74
    acrylic acid 1006.37
    isopropyl myristate 356.6
    n-butyric acid 2145.81
    acetyl acetate 734.26
    di(2-ethylhexyl) phthalate 336.43
    ethyl propionate 610.64
    nitromethane 1692.53
    1,2-diethoxyethane 1142.98
    benzonitrile 1225.11
    trioctyl phosphate 269.85
    1-bromopropane 1792.5
    gamma-valerolactone 1496.88
    n-decanol 418.18
    triethyl phosphate 327.13
    4-methyl-2-pentanol 656.12
    propionitrile 1569.74
    vinylene carbonate 1065.91
    1,1,2-trichlorotrifluoroethane 1420.49
    DMS 411.81
    cumene 299.69
    2-octanol 514.16
    2-hexanone 895.7
    octyl acetate 438.44
    limonene 606.94
    1,2-dimethoxyethane 1991.53
    ethyl orthosilicate 362.34
    tributyl phosphate 325.58
    diacetone alcohol 594.5
    N,N-dimethylaniline 442.79
    acrylonitrile 1447.37
    aniline 854.45
    1,3-propanediol 1633.2
    bromobenzene 1182.11
    dibromomethane 3699.29
    1,1,2,2-tetrachloroethane 2449.61
    2-methyl-cyclohexyl acetate 603.18
    tetrabutyl urea 365.69
    diisobutyl methanol 503.99
    2-phenylethanol 827.35
    styrene 553.76
    dioctyl adipate 475.8
    dimethyl sulfate 281.87
    ethyl butyrate 944.28
    methyl lactate 334.5
    butyl lactate 489.29
    diethyl carbonate 572.76
    propanediol butyl ether 749.78
    triethyl orthoformate 625.63
    p-tert-butyltoluene 358.21
    methyl 4-tert-butylbenzoate 482.81
    morpholine 2427.07
    tert-butylamine 1529.55
    n-dodecanol 311.93
    dimethoxymethane 868.69
    ethylene carbonate 963.11
    cyrene 442.61
    2-ethoxyethyl acetate 759.87
    2-ethylhexyl acetate 902.51
    1,2,4-trichlorobenzene 980.62
    4-methylpyridine 1504.42
    dibutyl ether 802.94
    2,6-dimethyl-4-heptanol 503.99
    DEF 902.89
    dimethyl isosorbide 825.33
    tetrachloroethylene 1890.87
    eugenol 503.39
    triacetin 585.11
    span 80 630.04
    1,4-butanediol 809.03
    1,1-dichloroethane 2356.79
    2-methyl-1-pentanol 1225.31
    methyl formate 703.16
    2-methyl-1-butanol 1484.79
    n-decane 177.88
    butyronitrile 2131.42
    3,7-dimethyl-1-octanol 683.95
    1-chlorooctane 507.65
    1-chlorotetradecane 195.03
    n-nonane 191.25
    undecane 124.9
    tert-butylcyclohexane 203.34
    cyclooctane 197.57
    cyclopentanol 1422.54
    tetrahydropyran 2344.48
    tert-amyl methyl ether 764.74
    2,5,8-trioxanonane 940.5
    1-hexene 1061.49
    2-isopropoxyethanol 993.86
    2,2,2-trifluoroethanol 575.09
    methyl butyrate 992.82

    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