1,1-Bis(hexyloxy)ethane

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  • Identifiers

    CAS number
    5405-58-3

    Molecular formula
    C14H30O2

    SMILES
    CCCCCCOC(C)OCCCCCC

  • Odor profile

    Fragrance
    Green 97.03%
    Cognac 62.1%
    Apple 61.76%
    Vegetable 56.75%
    Oily 53.38%
    Alcoholic 49.62%
    Herbal 48.17%
    Sweet 46.53%
    Fruity 46.45%
    Ethereal 44.4%

     

    Flavor
    Green 63.72%
    Fruity 63.16%
    Herbal 44.56%
    Floral 43.63%
    Waxy 40.84%
    Mushroom 39.86%
    Sweet 36.8%
    Earthy 36.16%
    Fatty 34.71%
    Rose 33.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.46 (neutral)

    Molecular weight
    230.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 103.53 ˚C est.

  • Synonyms

    • 5405-58-3
    • ACETALDEHYDE DI-N-HEXYL ACETAL
    • Acetaldehyde, dihexyl acetal
    • 1-(1-hexoxyethoxy)hexane
    • Hexane, 1,1'-[ethylidenebis(oxy)]bis-
    • 1,1-Dihexyloxyethane
    • Ethylidenebis(oxy)dihexane
    • 1,1-Di(hexyloxy)ethane
    • ACETALDEHYDE DIHEXYLACETAL
    • acetaldehyde dihexyl acetal
    • 1-[1-(Hexyloxy)ethoxy]hexane
    • Hexane, 1,1'-(ethylidenebis(oxy))bis-
    • 1,1-BIS(HEXYLOXY)ETHANE
    • ID3N39457D
    • NSC 5187
    • NSC-5187
    • EINECS 226-458-3
    • DTXSID2063842
    • Acetaldehyde, dihexyl acetal (8CI)
    • 1,1'-(ETHYLIDENEBIS(OXY))BIS(HEXANE)
    • 1-(1-(hexyloxy)ethoxy)hexane
    • 1,1'-(Ethylidenebis(oxy))bis-Hexane
    • 1,1'-[Ethylidenebis(oxy)]bis-Hexane
    • 1,1'-[Ethylidenebis(oxy)]bis[hexane]
    • ACETALDEHYDEDI-N-HEXYLACETAL
    • 1,1-Dihexoxyethan
    • SCHEMBL873400
    • UNII-ID3N39457D
    • DTXCID4041579
    • NSC5187
    • CHEBI:178469
    • 1-[1-(Hexyloxy)ethoxy]hexane #
    • Hexane,1'-[ethylidenebis(oxy)]bis-
    • MFCD00051715
    • AKOS017343135
    • DB-052468
    • NS00022336
    • 1,1'-[Ethylidenebis(oxy)]bis[hexane], 9CI
    • Q63395475

  • Applications

    1,1-Bis(hexyloxy)ethane (CAS 5405-58-3) is a nonpolar dialkyl ether commonly utilized as a solvent and processing aid in various industries. It can function as a solvent or diluent in organic synthesis, a co-solvent in coatings, inks and adhesives, and as a plasticizer or processing additive in polymer formulations. It may also serve as an intermediate in chemical manufacturing and as a low-polarity solvent component in cosmetics and personal care formulations and in household or industrial cleaners. Use is field-specific and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4587.19
    methanol 3164.13
    isopropanol 5448.13
    water 0.18
    ethyl acetate 11740.98
    n-propanol 4959.4
    acetone 10089.23
    n-butanol 5806.69
    acetonitrile 5562.34
    DMF 5041.14
    toluene 4921.09
    isobutanol 5036.49
    1,4-dioxane 9958.47
    methyl acetate 6633.23
    THF 13218.12
    2-butanone 8435.44
    n-pentanol 4006.16
    sec-butanol 6031.26
    n-hexane 7116.84
    ethylene glycol 257.23
    NMP 6512.3
    cyclohexane 14103.1
    DMSO 7290.27
    n-butyl acetate 12014.84
    n-octanol 2793.86
    chloroform 19502.83
    n-propyl acetate 8769.74
    acetic acid 3745.93
    dichloromethane 18604.05
    cyclohexanone 16686.76
    propylene glycol 592.12
    isopropyl acetate 8837.69
    DMAc 4955.33
    2-ethoxyethanol 3447.39
    isopentanol 6361.32
    n-heptane 5113.48
    ethyl formate 4185.98
    1,2-dichloroethane 13345.89
    n-hexanol 5113.82
    2-methoxyethanol 4310.97
    isobutyl acetate 5300.05
    tetrachloromethane 5806.82
    n-pentyl acetate 7716.41
    transcutol 11068.35
    n-heptanol 2518.12
    ethylbenzene 2937.13
    MIBK 5957.27
    2-propoxyethanol 4805.63
    tert-butanol 8024.89
    MTBE 12222.5
    2-butoxyethanol 3324.63
    propionic acid 3776.2
    o-xylene 3347.46
    formic acid 446.98
    diethyl ether 13533.61
    m-xylene 3066.64
    p-xylene 4231.23
    chlorobenzene 5992.83
    dimethyl carbonate 1402.91
    n-octane 1522.17
    formamide 812.96
    cyclopentanone 11111.74
    2-pentanone 9336.35
    anisole 3463.46
    cyclopentyl methyl ether 11514.33
    gamma-butyrolactone 9617.83
    1-methoxy-2-propanol 4178.33
    pyridine 8756.57
    3-pentanone 7239.52
    furfural 5935.27
    n-dodecane 663.11
    diethylene glycol 1586.08
    diisopropyl ether 5604.13
    tert-amyl alcohol 7525.13
    acetylacetone 7560.08
    n-hexadecane 801.8
    acetophenone 3532.64
    methyl propionate 5759.09
    isopentyl acetate 10091.39
    trichloroethylene 17720.23
    n-nonanol 2507.98
    cyclohexanol 9813.56
    benzyl alcohol 2225.75
    2-ethylhexanol 5060.73
    isooctanol 2435.34
    dipropyl ether 10455.25
    1,2-dichlorobenzene 5429.78
    ethyl lactate 1822.77
    propylene carbonate 6063.08
    n-methylformamide 2404.91
    2-pentanol 5788.77
    n-pentane 4842.2
    1-propoxy-2-propanol 5672.83
    1-methoxy-2-propyl acetate 5855.67
    2-(2-methoxypropoxy) propanol 2189.95
    mesitylene 2443.94
    ε-caprolactone 12579.46
    p-cymene 2450.12
    epichlorohydrin 10524.57
    1,1,1-trichloroethane 15840.68
    2-aminoethanol 902.54
    morpholine-4-carbaldehyde 5636.21
    sulfolane 9831.75
    2,2,4-trimethylpentane 1763.53
    2-methyltetrahydrofuran 15386.57
    n-hexyl acetate 8132.31
    isooctane 1257.06
    2-(2-butoxyethoxy)ethanol 3206.86
    sec-butyl acetate 6550.69
    tert-butyl acetate 8778.38
    decalin 3147.24
    glycerin 654.82
    diglyme 7323.05
    acrylic acid 2175.01
    isopropyl myristate 2656.14
    n-butyric acid 8400.27
    acetyl acetate 5797.73
    di(2-ethylhexyl) phthalate 1392.6
    ethyl propionate 7189.79
    nitromethane 6450.89
    1,2-diethoxyethane 10014.15
    benzonitrile 4319.26
    trioctyl phosphate 1344.26
    1-bromopropane 13011.46
    gamma-valerolactone 11235.02
    n-decanol 1660.55
    triethyl phosphate 2624.65
    4-methyl-2-pentanol 3226.7
    propionitrile 5636.9
    vinylene carbonate 4600.71
    1,1,2-trichlorotrifluoroethane 5910.22
    DMS 3435.82
    cumene 2064.63
    2-octanol 2436.52
    2-hexanone 7244.87
    octyl acetate 2909.7
    limonene 5300.81
    1,2-dimethoxyethane 8864.96
    ethyl orthosilicate 3013.87
    tributyl phosphate 2020.29
    diacetone alcohol 4991.07
    N,N-dimethylaniline 2475.51
    acrylonitrile 4478.94
    aniline 4020.83
    1,3-propanediol 2013.53
    bromobenzene 7702.12
    dibromomethane 15423.04
    1,1,2,2-tetrachloroethane 16607.02
    2-methyl-cyclohexyl acetate 4713.73
    tetrabutyl urea 2468.89
    diisobutyl methanol 3225.77
    2-phenylethanol 2391.67
    styrene 3608.33
    dioctyl adipate 3122.67
    dimethyl sulfate 2107.96
    ethyl butyrate 9045.66
    methyl lactate 1474.01
    butyl lactate 3473.19
    diethyl carbonate 4449.16
    propanediol butyl ether 2235.61
    triethyl orthoformate 5790.63
    p-tert-butyltoluene 2350.58
    methyl 4-tert-butylbenzoate 2736.98
    morpholine 11722.23
    tert-butylamine 7197.54
    n-dodecanol 1273.42
    dimethoxymethane 4171.79
    ethylene carbonate 5353.15
    cyrene 1624.24
    2-ethoxyethyl acetate 5883.84
    2-ethylhexyl acetate 8418.81
    1,2,4-trichlorobenzene 5461.31
    4-methylpyridine 9231.75
    dibutyl ether 9683.09
    2,6-dimethyl-4-heptanol 3225.77
    DEF 9014.67
    dimethyl isosorbide 3918.17
    tetrachloroethylene 11480.13
    eugenol 1991.42
    triacetin 4301.36
    span 80 2651.99
    1,4-butanediol 857.56
    1,1-dichloroethane 14537.09
    2-methyl-1-pentanol 4031.46
    methyl formate 1678.65
    2-methyl-1-butanol 5723.6
    n-decane 1450.97
    butyronitrile 7589.67
    3,7-dimethyl-1-octanol 3267.63
    1-chlorooctane 4035.26
    1-chlorotetradecane 1291.04
    n-nonane 1725.25
    undecane 904.76
    tert-butylcyclohexane 2512.92
    cyclooctane 3482.32
    cyclopentanol 7024.09
    tetrahydropyran 19938.51
    tert-amyl methyl ether 8296.11
    2,5,8-trioxanonane 3517.93
    1-hexene 10490.2
    2-isopropoxyethanol 3184.94
    2,2,2-trifluoroethanol 1129.98
    methyl butyrate 9752.78

    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