1,3-Dioxolane, 2-hexyl-

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  • Identifiers

    CAS number
    1708-34-5

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCC1OCCO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 84.44%
    Fatty 66.48%
    Fruity 63.08%
    Fresh 61.54%
    Sweet 49.35%
    Citrus 48.44%
    Herbal 42.39%
    Waxy 41.46%
    Oily 38.42%
    Floral 37.66%

     

    Flavor
    Fatty 49.16%
    Green 48.77%
    Fruity 47.6%
    Sweet 47.42%
    Waxy 41.2%
    Creamy 40.05%
    Oily 39.7%
    Coconut 38.16%
    Peach 35.72%
    Metallic 33.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.55 (neutral)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 74.35 ˚C est.

  • Synonyms

    • 2-Hexyl-1,3-dioxolane
    • 1708-34-5
    • 1,3-Dioxolane, 2-hexyl-
    • Heptanal, cyclic ethylene acetal
    • 2-n-Hexyl-1,3-dioxolane
    • Heptaldehyde, ethylene glycol acetal
    • Ethylene glycol acetal of heptaldehyde
    • Heptanal, cyclic 1,2-ethanediyl acetal
    • AI3-22555
    • NSC 5666
    • NSC-5666
    • EINECS 216-959-5
    • 4A4SAB7VYV
    • DTXSID0051786
    • Hexyl-2-dioxolane-1,3
    • 1, 2-hexyl-
    • UNII-4A4SAB7VYV
    • 2-hexyl-[1,3]dioxolane
    • Heptanal,2-ethanediyl acetal
    • SCHEMBL873108
    • heptanal cyclic ethylene acetal
    • n-Heptanal ethyleneglycol acetal
    • DTXCID3030341
    • NSC5666
    • AKOS006271630
    • HEPTANAL ETHYLENE GLYCOL ACETAL
    • NS00012605
    • Q63392601
    • 216-959-5

  • Applications

    2-hexyl-1,3-dioxolane (1,3-Dioxolane, 2-hexyl-, CAS 1708-34-5) is used primarily as an organic synthesis intermediate and as a specialty solvent in diverse formulations. In industry, it may serve as a fragrance component or odorant precursor for perfumery, and as a processing co-solvent or carrier for coatings, inks, adhesives, and cleaning products. It can function as a building block or reactive intermediate in polymer and plastics formulations, and may act as a protecting acetal in synthetic routes to mask carbonyl groups during multi-step syntheses. Its specific use is dependent on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5717.1
    methanol 5011.75
    isopropanol 4566.02
    water 0.5
    ethyl acetate 5335.99
    n-propanol 4752.04
    acetone 6614.16
    n-butanol 4624.53
    acetonitrile 4574.75
    DMF 2754.15
    toluene 1897.74
    isobutanol 3548.76
    1,4-dioxane 5972.03
    methyl acetate 3524.57
    THF 7161.08
    2-butanone 4350.2
    n-pentanol 2771.95
    sec-butanol 3836.28
    n-hexane 1501.09
    ethylene glycol 706.99
    NMP 2276.66
    cyclohexane 2057.99
    DMSO 6025.08
    n-butyl acetate 4049.47
    n-octanol 1001.85
    chloroform 10956.38
    n-propyl acetate 3088.8
    acetic acid 3927.12
    dichloromethane 10117.41
    cyclohexanone 5558.84
    propylene glycol 1204.66
    isopropyl acetate 3249.53
    DMAc 1806.85
    2-ethoxyethanol 2767.91
    isopentanol 4035.77
    n-heptane 719.88
    ethyl formate 2239.15
    1,2-dichloroethane 6116.22
    n-hexanol 3032.0
    2-methoxyethanol 4172.74
    isobutyl acetate 1704.05
    tetrachloromethane 2220.62
    n-pentyl acetate 1968.92
    transcutol 8003.78
    n-heptanol 938.59
    ethylbenzene 868.9
    MIBK 2224.34
    2-propoxyethanol 3616.74
    tert-butanol 4903.9
    MTBE 4999.68
    2-butoxyethanol 1640.33
    propionic acid 3116.15
    o-xylene 949.33
    formic acid 858.98
    diethyl ether 6871.69
    m-xylene 1109.88
    p-xylene 1078.46
    chlorobenzene 2637.65
    dimethyl carbonate 803.29
    n-octane 212.48
    formamide 1123.53
    cyclopentanone 4845.1
    2-pentanone 4213.15
    anisole 1694.71
    cyclopentyl methyl ether 4373.9
    gamma-butyrolactone 4456.86
    1-methoxy-2-propanol 3308.89
    pyridine 5114.43
    3-pentanone 2756.84
    furfural 3304.1
    n-dodecane 133.03
    diethylene glycol 1999.01
    diisopropyl ether 1742.25
    tert-amyl alcohol 3395.44
    acetylacetone 3447.59
    n-hexadecane 155.74
    acetophenone 1326.5
    methyl propionate 2820.29
    isopentyl acetate 2954.91
    trichloroethylene 8966.14
    n-nonanol 823.75
    cyclohexanol 3977.98
    benzyl alcohol 1333.37
    2-ethylhexanol 1719.4
    isooctanol 812.93
    dipropyl ether 2901.88
    1,2-dichlorobenzene 2127.96
    ethyl lactate 884.15
    propylene carbonate 2586.71
    n-methylformamide 1883.98
    2-pentanol 3314.43
    n-pentane 1219.93
    1-propoxy-2-propanol 2943.96
    1-methoxy-2-propyl acetate 2528.7
    2-(2-methoxypropoxy) propanol 1266.18
    mesitylene 751.3
    ε-caprolactone 4415.84
    p-cymene 619.25
    epichlorohydrin 5388.22
    1,1,1-trichloroethane 5962.3
    2-aminoethanol 1767.2
    morpholine-4-carbaldehyde 2788.44
    sulfolane 4469.47
    2,2,4-trimethylpentane 387.59
    2-methyltetrahydrofuran 6373.25
    n-hexyl acetate 2322.71
    isooctane 322.95
    2-(2-butoxyethoxy)ethanol 1894.19
    sec-butyl acetate 2015.39
    tert-butyl acetate 2909.37
    decalin 550.58
    glycerin 1195.55
    diglyme 3579.27
    acrylic acid 2093.82
    isopropyl myristate 735.57
    n-butyric acid 5358.27
    acetyl acetate 2689.26
    di(2-ethylhexyl) phthalate 557.01
    ethyl propionate 2371.45
    nitromethane 4539.11
    1,2-diethoxyethane 4156.04
    benzonitrile 2156.16
    trioctyl phosphate 437.24
    1-bromopropane 5317.58
    gamma-valerolactone 4478.13
    n-decanol 584.68
    triethyl phosphate 712.98
    4-methyl-2-pentanol 1472.06
    propionitrile 3965.01
    vinylene carbonate 2260.08
    1,1,2-trichlorotrifluoroethane 3653.59
    DMS 1340.46
    cumene 569.8
    2-octanol 702.96
    2-hexanone 2735.4
    octyl acetate 849.52
    limonene 1143.19
    1,2-dimethoxyethane 4476.62
    ethyl orthosilicate 788.59
    tributyl phosphate 637.78
    diacetone alcohol 2115.58
    N,N-dimethylaniline 893.84
    acrylonitrile 3635.33
    aniline 2345.5
    1,3-propanediol 2497.6
    bromobenzene 3144.19
    dibromomethane 7808.4
    1,1,2,2-tetrachloroethane 7053.18
    2-methyl-cyclohexyl acetate 1296.82
    tetrabutyl urea 710.43
    diisobutyl methanol 922.87
    2-phenylethanol 1398.23
    styrene 1296.04
    dioctyl adipate 983.94
    dimethyl sulfate 1126.51
    ethyl butyrate 2341.01
    methyl lactate 982.03
    butyl lactate 1143.02
    diethyl carbonate 1295.38
    propanediol butyl ether 1327.52
    triethyl orthoformate 1464.51
    p-tert-butyltoluene 609.59
    methyl 4-tert-butylbenzoate 987.3
    morpholine 7279.16
    tert-butylamine 3713.45
    n-dodecanol 444.32
    dimethoxymethane 2701.56
    ethylene carbonate 2255.69
    cyrene 853.53
    2-ethoxyethyl acetate 2134.43
    2-ethylhexyl acetate 2199.92
    1,2,4-trichlorobenzene 2253.81
    4-methylpyridine 4148.77
    dibutyl ether 2280.42
    2,6-dimethyl-4-heptanol 922.87
    DEF 3394.86
    dimethyl isosorbide 1820.14
    tetrachloroethylene 4778.38
    eugenol 880.75
    triacetin 1616.49
    span 80 1288.07
    1,4-butanediol 996.81
    1,1-dichloroethane 6832.02
    2-methyl-1-pentanol 2278.51
    methyl formate 1341.19
    2-methyl-1-butanol 3420.0
    n-decane 256.97
    butyronitrile 4677.21
    3,7-dimethyl-1-octanol 1205.6
    1-chlorooctane 902.15
    1-chlorotetradecane 329.85
    n-nonane 285.45
    undecane 174.58
    tert-butylcyclohexane 466.89
    cyclooctane 535.39
    cyclopentanol 3600.01
    tetrahydropyran 8381.87
    tert-amyl methyl ether 2833.99
    2,5,8-trioxanonane 2038.59
    1-hexene 3512.09
    2-isopropoxyethanol 2008.59
    2,2,2-trifluoroethanol 1000.76
    methyl butyrate 3236.86

    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