Hexane, 1-(2,2-dimethoxyethoxy)-

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  • Identifiers

    CAS number
    17597-95-4

    Molecular formula
    C10H22O3

    SMILES
    CCCCCCOCC(OC)OC

  • Odor profile

    Fragrance
    Green 90.5%
    Fruity 66.5%
    Sweet 63.42%
    Floral 54.04%
    Fresh 53.12%
    Herbal 44.32%
    Oily 43.49%
    Ethereal 42.36%
    Apple 42.31%
    Leafy 41.25%

     

    Flavor
    Fruity 63.42%
    Green 59.28%
    Sweet 40.19%
    Earthy 36.55%
    Mushroom 35.73%
    Vegetable 32.04%
    Fatty 31.59%
    Floral 31.08%
    Herbal 31.05%
    Oily 30.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.63 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 75.4 ˚C est.

  • Synonyms

    • 1-(2,2-Dimethoxyethoxy)hexane
    • 17597-95-4
    • Hexane, 1-(2,2-dimethoxyethoxy)-
    • Hexoxyacetaldehyde dimethyl acetal
    • Hexoxy dimethyl acetal
    • Hexoxyacetaldehyde dimethylacetal
    • 2-Hexoxyacetaldehyde dimethylacetal
    • EINECS 241-563-4
    • 2-Hexoxyacetaldehyde dimethyl acetal
    • AI3-28733
    • Acetaldehyde, (hexyloxy)-, dimethyl acetal
    • DTXSID3066217
    • 2-Hexoxy acetaldehyde dimethyl acetal
    • .beta.-Hexoxyacetaldehyde dimethylacetal
    • SCHEMBL3504252
    • DTXCID4035592
    • 1-(2,2-Dimethoxyethoxy)hexane #
    • beta-Hexoxyacetaldehyde dimethylacetal
    • AKOS015565655
    • DB-276673
    • NS00012597
    • 241-563-4

  • Applications

    Hexane, 1-(2,2-dimethoxyethoxy)-, CAS 17597-95-4, is typically used as a specialty solvent and as an intermediate in various industrial processes; real-world applications include serving as a solvent for coatings and inks, and for industrial cleaning formulations; acting as an intermediate in organic synthesis; used as a processing aid in plastics and polymer manufacturing; and as a component in adhesive formulations; it may be used in electronics manufacturing and cleaning applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7414.77
    methanol 8544.05
    isopropanol 5553.55
    water 4.21
    ethyl acetate 6172.59
    n-propanol 5738.54
    acetone 6337.01
    n-butanol 5152.35
    acetonitrile 6014.57
    DMF 3370.11
    toluene 1269.15
    isobutanol 4082.11
    1,4-dioxane 6958.25
    methyl acetate 4483.62
    THF 6153.5
    2-butanone 3811.28
    n-pentanol 2760.49
    sec-butanol 4761.63
    n-hexane 541.81
    ethylene glycol 1123.04
    NMP 2348.42
    cyclohexane 2501.53
    DMSO 6287.49
    n-butyl acetate 3716.57
    n-octanol 847.93
    chloroform 13424.25
    n-propyl acetate 3343.69
    acetic acid 9063.35
    dichloromethane 12717.59
    cyclohexanone 6617.41
    propylene glycol 1388.39
    isopropyl acetate 3062.49
    DMAc 1933.53
    2-ethoxyethanol 3877.67
    isopentanol 3722.82
    n-heptane 502.8
    ethyl formate 3728.74
    1,2-dichloroethane 7858.83
    n-hexanol 2353.88
    2-methoxyethanol 6372.97
    isobutyl acetate 1464.12
    tetrachloromethane 3037.02
    n-pentyl acetate 1844.31
    transcutol 6722.86
    n-heptanol 909.66
    ethylbenzene 711.79
    MIBK 1583.34
    2-propoxyethanol 3056.92
    tert-butanol 6473.65
    MTBE 4122.77
    2-butoxyethanol 1644.84
    propionic acid 4706.12
    o-xylene 837.2
    formic acid 2363.37
    diethyl ether 5207.46
    m-xylene 782.52
    p-xylene 1017.28
    chlorobenzene 2370.29
    dimethyl carbonate 696.48
    n-octane 173.84
    formamide 2848.42
    cyclopentanone 4475.15
    2-pentanone 3392.98
    anisole 1190.28
    cyclopentyl methyl ether 3356.82
    gamma-butyrolactone 5124.69
    1-methoxy-2-propanol 3646.15
    pyridine 5120.49
    3-pentanone 2222.57
    furfural 4049.0
    n-dodecane 93.68
    diethylene glycol 2207.49
    diisopropyl ether 1114.24
    tert-amyl alcohol 4763.49
    acetylacetone 3107.86
    n-hexadecane 108.32
    acetophenone 1227.77
    methyl propionate 2823.74
    isopentyl acetate 2538.76
    trichloroethylene 12449.1
    n-nonanol 704.51
    cyclohexanol 5746.96
    benzyl alcohol 1365.68
    2-ethylhexanol 1529.25
    isooctanol 789.43
    dipropyl ether 2108.1
    1,2-dichlorobenzene 2035.02
    ethyl lactate 963.87
    propylene carbonate 3055.4
    n-methylformamide 2935.39
    2-pentanol 3450.9
    n-pentane 716.91
    1-propoxy-2-propanol 2565.93
    1-methoxy-2-propyl acetate 1843.22
    2-(2-methoxypropoxy) propanol 922.1
    mesitylene 535.22
    ε-caprolactone 5516.78
    p-cymene 591.08
    epichlorohydrin 6031.63
    1,1,1-trichloroethane 8014.48
    2-aminoethanol 2471.51
    morpholine-4-carbaldehyde 3123.21
    sulfolane 4637.37
    2,2,4-trimethylpentane 309.6
    2-methyltetrahydrofuran 5647.86
    n-hexyl acetate 1894.48
    isooctane 192.56
    2-(2-butoxyethoxy)ethanol 1545.86
    sec-butyl acetate 1893.51
    tert-butyl acetate 2555.1
    decalin 432.67
    glycerin 1658.14
    diglyme 3565.85
    acrylic acid 3269.44
    isopropyl myristate 540.26
    n-butyric acid 8037.97
    acetyl acetate 3420.11
    di(2-ethylhexyl) phthalate 444.84
    ethyl propionate 2262.26
    nitromethane 9498.17
    1,2-diethoxyethane 2938.3
    benzonitrile 2191.69
    trioctyl phosphate 356.79
    1-bromopropane 4765.07
    gamma-valerolactone 5706.35
    n-decanol 459.56
    triethyl phosphate 761.92
    4-methyl-2-pentanol 1251.18
    propionitrile 3976.1
    vinylene carbonate 2831.03
    1,1,2-trichlorotrifluoroethane 5770.04
    DMS 1069.38
    cumene 454.17
    2-octanol 670.56
    2-hexanone 2219.19
    octyl acetate 681.16
    limonene 1152.84
    1,2-dimethoxyethane 5149.07
    ethyl orthosilicate 837.84
    tributyl phosphate 532.79
    diacetone alcohol 2105.08
    N,N-dimethylaniline 697.09
    acrylonitrile 4002.18
    aniline 2109.25
    1,3-propanediol 3966.86
    bromobenzene 2554.47
    dibromomethane 8957.59
    1,1,2,2-tetrachloroethane 10166.24
    2-methyl-cyclohexyl acetate 1224.17
    tetrabutyl urea 564.4
    diisobutyl methanol 850.41
    2-phenylethanol 1170.23
    styrene 999.23
    dioctyl adipate 819.83
    dimethyl sulfate 1050.09
    ethyl butyrate 2421.27
    methyl lactate 1018.87
    butyl lactate 1168.41
    diethyl carbonate 1345.56
    propanediol butyl ether 1285.4
    triethyl orthoformate 1532.05
    p-tert-butyltoluene 537.79
    methyl 4-tert-butylbenzoate 867.09
    morpholine 8405.05
    tert-butylamine 4225.09
    n-dodecanol 337.52
    dimethoxymethane 2193.26
    ethylene carbonate 2926.67
    cyrene 799.4
    2-ethoxyethyl acetate 1829.4
    2-ethylhexyl acetate 1908.58
    1,2,4-trichlorobenzene 2167.94
    4-methylpyridine 3766.28
    dibutyl ether 1677.79
    2,6-dimethyl-4-heptanol 850.41
    DEF 3506.02
    dimethyl isosorbide 1404.11
    tetrachloroethylene 8233.16
    eugenol 834.03
    triacetin 1396.66
    span 80 1072.17
    1,4-butanediol 1475.92
    1,1-dichloroethane 7774.7
    2-methyl-1-pentanol 2044.53
    methyl formate 2254.3
    2-methyl-1-butanol 3394.86
    n-decane 194.9
    butyronitrile 4793.54
    3,7-dimethyl-1-octanol 911.45
    1-chlorooctane 730.1
    1-chlorotetradecane 225.23
    n-nonane 219.62
    undecane 125.07
    tert-butylcyclohexane 333.97
    cyclooctane 471.11
    cyclopentanol 4406.52
    tetrahydropyran 8501.4
    tert-amyl methyl ether 2453.2
    2,5,8-trioxanonane 1684.83
    1-hexene 1617.0
    2-isopropoxyethanol 2345.27
    2,2,2-trifluoroethanol 2317.95
    methyl butyrate 3622.35

    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