2-Hexyl-1,3-dioxane

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  • Identifiers

    CAS number
    6290-20-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC1OCCCO1

    Safety labels

  • Odor profile

    Fragrance
    Green 75.68%
    Fatty 57.67%
    Fresh 53.72%
    Fruity 50.28%
    Floral 44.86%
    Herbal 43.13%
    Sweet 42.78%
    Citrus 40.53%
    Oily 36.72%
    Waxy 35.8%

     

    Flavor
    Green 49.71%
    Fruity 48.02%
    Fatty 46.69%
    Sweet 46.62%
    Oily 38.44%
    Waxy 38.34%
    Creamy 36.99%
    Peach 35.17%
    Coconut 35.09%
    Metallic 32.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.17 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 83.4 ˚C est.

  • Synonyms

    • 2-Hexyl-1,3-dioxane
    • 6290-20-6
    • 1,3-Dioxane, 2-hexyl-
    • EINECS 228-537-8
    • AI3-05028
    • DTXSID80212083
    • NSC 6567
    • RefChem:87293
    • DTXCID80134574
    • 228-537-8
    • NSC6567
    • SCHEMBL6896512
    • SCHEMBL9735787
    • DZTPGFWGNFJQFG-UHFFFAOYSA-N
    • NSC-6567
    • AKOS006271987
    • NS00035215
    • 6290-20-6

  • Applications

    2-Hexyl-1,3-dioxane (CAS 6290-20-6) is used primarily as an organic synthesis intermediate and as a specialty solvent in certain formulations. It is also considered for fragrance applications as an odorant or fragrance component. In cosmetics and personal care, it may be used as a fragrance ingredient or processing aid. In household products, it can function as a solvent or carrier for cleaners and surface treatments. In industrial manufacturing and related sectors such as coatings and inks as well as plastics, it may serve as an intermediate or solvent for processing and as a processing aid for plastics. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5245.49
    methanol 4445.54
    isopropanol 4502.1
    water 0.22
    ethyl acetate 6653.99
    n-propanol 4415.04
    acetone 7842.08
    n-butanol 4537.11
    acetonitrile 5829.56
    DMF 3011.61
    toluene 2466.14
    isobutanol 3149.5
    1,4-dioxane 6183.37
    methyl acetate 4092.34
    THF 7522.68
    2-butanone 5406.34
    n-pentanol 2856.5
    sec-butanol 3698.82
    n-hexane 2087.32
    ethylene glycol 422.55
    NMP 2484.48
    cyclohexane 2729.16
    DMSO 6969.51
    n-butyl acetate 5832.68
    n-octanol 1179.13
    chloroform 12930.68
    n-propyl acetate 4282.4
    acetic acid 3880.85
    dichloromethane 12584.3
    cyclohexanone 7027.19
    propylene glycol 702.04
    isopropyl acetate 3908.33
    DMAc 1950.58
    2-ethoxyethanol 2585.68
    isopentanol 3887.55
    n-heptane 1040.24
    ethyl formate 2829.98
    1,2-dichloroethane 7896.83
    n-hexanol 3307.91
    2-methoxyethanol 3741.29
    isobutyl acetate 2186.28
    tetrachloromethane 2517.68
    n-pentyl acetate 2840.85
    transcutol 9237.3
    n-heptanol 1076.19
    ethylbenzene 1185.4
    MIBK 2597.71
    2-propoxyethanol 3496.38
    tert-butanol 4827.59
    MTBE 5431.11
    2-butoxyethanol 1777.01
    propionic acid 2948.86
    o-xylene 1225.62
    formic acid 616.59
    diethyl ether 8139.66
    m-xylene 1363.59
    p-xylene 1477.2
    chlorobenzene 3394.61
    dimethyl carbonate 815.95
    n-octane 305.84
    formamide 936.87
    cyclopentanone 5571.26
    2-pentanone 5241.17
    anisole 1925.42
    cyclopentyl methyl ether 4726.03
    gamma-butyrolactone 5220.17
    1-methoxy-2-propanol 2995.53
    pyridine 6096.95
    3-pentanone 3336.14
    furfural 3816.43
    n-dodecane 179.75
    diethylene glycol 1631.22
    diisopropyl ether 2092.74
    tert-amyl alcohol 3639.2
    acetylacetone 4008.58
    n-hexadecane 213.17
    acetophenone 1663.1
    methyl propionate 3342.79
    isopentyl acetate 3923.74
    trichloroethylene 11354.07
    n-nonanol 973.73
    cyclohexanol 4268.93
    benzyl alcohol 1463.89
    2-ethylhexanol 2153.85
    isooctanol 928.77
    dipropyl ether 3877.3
    1,2-dichlorobenzene 2782.84
    ethyl lactate 904.03
    propylene carbonate 3010.29
    n-methylformamide 1888.06
    2-pentanol 3482.94
    n-pentane 1549.36
    1-propoxy-2-propanol 3178.8
    1-methoxy-2-propyl acetate 2822.05
    2-(2-methoxypropoxy) propanol 1322.53
    mesitylene 885.96
    ε-caprolactone 5397.52
    p-cymene 838.91
    epichlorohydrin 6068.15
    1,1,1-trichloroethane 7802.41
    2-aminoethanol 1141.66
    morpholine-4-carbaldehyde 2974.88
    sulfolane 4968.95
    2,2,4-trimethylpentane 463.4
    2-methyltetrahydrofuran 7186.3
    n-hexyl acetate 3187.83
    isooctane 372.72
    2-(2-butoxyethoxy)ethanol 2033.51
    sec-butyl acetate 2538.0
    tert-butyl acetate 3317.42
    decalin 729.96
    glycerin 786.57
    diglyme 4071.02
    acrylic acid 1964.39
    isopropyl myristate 962.42
    n-butyric acid 5732.28
    acetyl acetate 3179.35
    di(2-ethylhexyl) phthalate 672.65
    ethyl propionate 3081.16
    nitromethane 5035.97
    1,2-diethoxyethane 5428.27
    benzonitrile 2822.75
    trioctyl phosphate 530.6
    1-bromopropane 6936.02
    gamma-valerolactone 5308.62
    n-decanol 669.45
    triethyl phosphate 864.3
    4-methyl-2-pentanol 1532.7
    propionitrile 4540.78
    vinylene carbonate 2614.21
    1,1,2-trichlorotrifluoroethane 3884.67
    DMS 1535.65
    cumene 739.72
    2-octanol 864.41
    2-hexanone 3647.6
    octyl acetate 1108.23
    limonene 1523.18
    1,2-dimethoxyethane 4903.6
    ethyl orthosilicate 946.37
    tributyl phosphate 818.58
    diacetone alcohol 2280.2
    N,N-dimethylaniline 1054.34
    acrylonitrile 4060.14
    aniline 2788.16
    1,3-propanediol 1959.61
    bromobenzene 4148.7
    dibromomethane 10296.87
    1,1,2,2-tetrachloroethane 8714.61
    2-methyl-cyclohexyl acetate 1575.35
    tetrabutyl urea 896.96
    diisobutyl methanol 1120.27
    2-phenylethanol 1574.5
    styrene 1785.5
    dioctyl adipate 1252.72
    dimethyl sulfate 1147.05
    ethyl butyrate 3277.53
    methyl lactate 920.23
    butyl lactate 1481.07
    diethyl carbonate 1719.67
    propanediol butyl ether 1412.48
    triethyl orthoformate 1924.57
    p-tert-butyltoluene 782.47
    methyl 4-tert-butylbenzoate 1129.85
    morpholine 7266.45
    tert-butylamine 3813.78
    n-dodecanol 512.85
    dimethoxymethane 2844.04
    ethylene carbonate 2648.37
    cyrene 844.45
    2-ethoxyethyl acetate 2735.39
    2-ethylhexyl acetate 3040.93
    1,2,4-trichlorobenzene 2834.46
    4-methylpyridine 5294.8
    dibutyl ether 3394.77
    2,6-dimethyl-4-heptanol 1120.27
    DEF 4125.57
    dimethyl isosorbide 1934.48
    tetrachloroethylene 5954.17
    eugenol 986.43
    triacetin 1907.7
    span 80 1435.98
    1,4-butanediol 797.11
    1,1-dichloroethane 8682.93
    2-methyl-1-pentanol 2350.05
    methyl formate 1387.15
    2-methyl-1-butanol 3275.27
    n-decane 353.43
    butyronitrile 5756.01
    3,7-dimethyl-1-octanol 1368.9
    1-chlorooctane 1226.38
    1-chlorotetradecane 423.67
    n-nonane 404.21
    undecane 237.15
    tert-butylcyclohexane 603.42
    cyclooctane 751.08
    cyclopentanol 3441.66
    tetrahydropyran 9270.12
    tert-amyl methyl ether 3164.25
    2,5,8-trioxanonane 2195.1
    1-hexene 4673.16
    2-isopropoxyethanol 1967.35
    2,2,2-trifluoroethanol 854.55
    methyl butyrate 4292.24

    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