Hexane, 1-(1-methoxyethoxy)-

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  • Identifiers

    CAS number
    54340-90-8

    Molecular formula
    C9H20O2

    SMILES
    CCCCCCOC(C)OC

  • Odor profile

    Fragrance
    Green 97.1%
    Cognac 62.28%
    Vegetable 62.23%
    Ethereal 57.24%
    Apple 56.76%
    Alcoholic 54.66%
    Leafy 47.2%
    Fruity 46.53%
    Herbal 46.0%
    Floral 43.04%

     

    Flavor
    Fruity 69.25%
    Green 68.51%
    Sweet 55.07%
    Herbal 41.22%
    Earthy 39.6%
    Fruit 34.96%
    Vegetable 32.97%
    Wine 31.9%
    Mushroom 29.44%
    Tropical 29.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.24 (weak base)

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    173°C

    Flash point

    • 48.05 ˚C est.

  • Synonyms

    • 1-(1-Methoxyethoxy)hexane
    • Hexane, 1-(1-methoxyethoxy)-
    • 54340-90-8
    • Acetaldehyde, methyl hexyl acetal
    • EINECS 259-114-6
    • DTXSID90886097
    • 1-(1-Methoxyethoxy)hexane #
    • acetaldehyde methyl hexyl acetal
    • SCHEMBL3502859
    • DTXCID801025439
    • NS00057065
    • 259-114-6

  • Applications

    Hexane, 1-(1-methoxyethoxy)- is a specialty solvent used in industrial manufacturing as a solvent or processing aid for coatings, inks, and adhesives. It is employed for cleaning and degreasing metal surfaces, molds, and equipment, helping surface preparation for subsequent processing. The compound can also serve as a chemical intermediate in the synthesis of specialty chemicals. In polymer and plastics processing, it is used as a solvent or thinning agent in resin and composite formulations. In electronics manufacturing, it has a role as a cleaning solvent and component preparation for production of components. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10791.51
    methanol 9184.45
    isopropanol 8743.19
    water 1.5
    ethyl acetate 6815.09
    n-propanol 8284.4
    acetone 6703.98
    n-butanol 8105.73
    acetonitrile 5857.41
    DMF 3176.48
    toluene 2347.58
    isobutanol 6049.74
    1,4-dioxane 9026.84
    methyl acetate 4399.7
    THF 9002.42
    2-butanone 5278.62
    n-pentanol 5054.37
    sec-butanol 7625.55
    n-hexane 3443.73
    ethylene glycol 970.65
    NMP 2482.89
    cyclohexane 4703.89
    DMSO 4975.23
    n-butyl acetate 6119.84
    n-octanol 1802.41
    chloroform 13545.44
    n-propyl acetate 4070.42
    acetic acid 5849.69
    dichloromethane 11262.19
    cyclohexanone 7546.0
    propylene glycol 1610.21
    isopropyl acetate 4039.3
    DMAc 2423.7
    2-ethoxyethanol 4462.74
    isopentanol 6381.32
    n-heptane 1796.61
    ethyl formate 3267.78
    1,2-dichloroethane 6721.67
    n-hexanol 5678.33
    2-methoxyethanol 6380.71
    isobutyl acetate 2184.14
    tetrachloromethane 3433.81
    n-pentyl acetate 2760.81
    transcutol 8852.56
    n-heptanol 1708.47
    ethylbenzene 1222.02
    MIBK 2452.72
    2-propoxyethanol 5257.64
    tert-butanol 10137.27
    MTBE 8505.9
    2-butoxyethanol 2371.37
    propionic acid 4084.06
    o-xylene 1302.23
    formic acid 1158.31
    diethyl ether 10180.55
    m-xylene 1363.05
    p-xylene 1624.71
    chlorobenzene 2777.08
    dimethyl carbonate 597.3
    n-octane 471.55
    formamide 1366.99
    cyclopentanone 4664.08
    2-pentanone 4822.95
    anisole 1895.49
    cyclopentyl methyl ether 5631.9
    gamma-butyrolactone 4332.26
    1-methoxy-2-propanol 4382.4
    pyridine 5965.41
    3-pentanone 3051.77
    furfural 3337.69
    n-dodecane 239.28
    diethylene glycol 2626.82
    diisopropyl ether 2392.75
    tert-amyl alcohol 8054.78
    acetylacetone 3275.86
    n-hexadecane 271.27
    acetophenone 1444.91
    methyl propionate 3016.33
    isopentyl acetate 4253.19
    trichloroethylene 9621.57
    n-nonanol 1471.26
    cyclohexanol 7278.76
    benzyl alcohol 1698.29
    2-ethylhexanol 3486.55
    isooctanol 1375.6
    dipropyl ether 4838.85
    1,2-dichlorobenzene 2182.58
    ethyl lactate 1104.09
    propylene carbonate 2594.06
    n-methylformamide 2155.23
    2-pentanol 5819.9
    n-pentane 2746.13
    1-propoxy-2-propanol 4336.91
    1-methoxy-2-propyl acetate 2906.09
    2-(2-methoxypropoxy) propanol 1445.38
    mesitylene 882.75
    ε-caprolactone 6033.46
    p-cymene 897.66
    epichlorohydrin 5902.49
    1,1,1-trichloroethane 7731.77
    2-aminoethanol 2495.35
    morpholine-4-carbaldehyde 3584.33
    sulfolane 3720.36
    2,2,4-trimethylpentane 765.52
    2-methyltetrahydrofuran 9474.19
    n-hexyl acetate 3125.83
    isooctane 526.9
    2-(2-butoxyethoxy)ethanol 2344.71
    sec-butyl acetate 2648.76
    tert-butyl acetate 3499.47
    decalin 953.25
    glycerin 1522.71
    diglyme 4542.29
    acrylic acid 2474.33
    isopropyl myristate 935.79
    n-butyric acid 7784.73
    acetyl acetate 3080.79
    di(2-ethylhexyl) phthalate 660.41
    ethyl propionate 2857.0
    nitromethane 5310.54
    1,2-diethoxyethane 5459.13
    benzonitrile 2679.01
    trioctyl phosphate 537.35
    1-bromopropane 7096.01
    gamma-valerolactone 5615.85
    n-decanol 951.33
    triethyl phosphate 957.11
    4-methyl-2-pentanol 2388.8
    propionitrile 5153.41
    vinylene carbonate 2320.16
    1,1,2-trichlorotrifluoroethane 4333.63
    DMS 1306.52
    cumene 784.5
    2-octanol 1330.64
    2-hexanone 3791.14
    octyl acetate 1103.61
    limonene 1896.9
    1,2-dimethoxyethane 6839.66
    ethyl orthosilicate 1148.87
    tributyl phosphate 789.29
    diacetone alcohol 2674.86
    N,N-dimethylaniline 1098.13
    acrylonitrile 4048.14
    aniline 2933.61
    1,3-propanediol 3808.9
    bromobenzene 3105.91
    dibromomethane 9017.0
    1,1,2,2-tetrachloroethane 8405.37
    2-methyl-cyclohexyl acetate 1745.62
    tetrabutyl urea 872.13
    diisobutyl methanol 1570.99
    2-phenylethanol 1822.08
    styrene 1661.25
    dioctyl adipate 1153.12
    dimethyl sulfate 816.9
    ethyl butyrate 3523.86
    methyl lactate 1035.36
    butyl lactate 1515.93
    diethyl carbonate 1749.25
    propanediol butyl ether 1770.67
    triethyl orthoformate 2261.63
    p-tert-butyltoluene 901.1
    methyl 4-tert-butylbenzoate 1073.35
    morpholine 11333.11
    tert-butylamine 7991.68
    n-dodecanol 689.45
    dimethoxymethane 2680.62
    ethylene carbonate 2498.59
    cyrene 983.98
    2-ethoxyethyl acetate 2596.42
    2-ethylhexyl acetate 3314.91
    1,2,4-trichlorobenzene 2359.48
    4-methylpyridine 5521.98
    dibutyl ether 3939.06
    2,6-dimethyl-4-heptanol 1570.99
    DEF 4503.69
    dimethyl isosorbide 1951.44
    tetrachloroethylene 6124.84
    eugenol 1017.59
    triacetin 1761.3
    span 80 1686.06
    1,4-butanediol 1587.57
    1,1-dichloroethane 8607.8
    2-methyl-1-pentanol 4024.15
    methyl formate 1388.03
    2-methyl-1-butanol 5912.26
    n-decane 489.25
    butyronitrile 6817.28
    3,7-dimethyl-1-octanol 1887.09
    1-chlorooctane 1442.48
    1-chlorotetradecane 468.75
    n-nonane 592.31
    undecane 315.52
    tert-butylcyclohexane 861.56
    cyclooctane 985.12
    cyclopentanol 5625.11
    tetrahydropyran 13473.05
    tert-amyl methyl ether 4889.53
    2,5,8-trioxanonane 2301.18
    1-hexene 6891.71
    2-isopropoxyethanol 3284.36
    2,2,2-trifluoroethanol 1209.12
    methyl butyrate 4212.6

    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