Dihexyl ether

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  • Identifiers

    CAS number
    112-58-3

    Molecular formula
    C12H26O

    SMILES
    CCCCCCOCCCCCC

  • Odor profile

    Fragrance
    Green 93.3%
    Sweet 61.97%
    Herbal 58.44%
    Oily 58.15%
    Fruity 55.19%
    Apple 51.49%
    Floral 49.15%
    Vegetable 47.33%
    Fresh 46.13%
    Cognac 45.59%

     

    Flavor
    Green 59.24%
    Floral 56.19%
    Herbal 55.18%
    Fruity 54.56%
    Sweet 54.0%
    Rose 48.45%
    Waxy 45.8%
    Orange 43.81%
    Fresh 43.34%
    Mushroom 42.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.3 (neutral)

    Molecular weight
    186.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 83.24 ˚C est.

  • Synonyms

    • Dihexyl ether
    • 112-58-3
    • Hexyl ether
    • Hexane, 1,1'-oxybis-
    • N-Hexyl ether
    • DI-N-HEXYL ETHER
    • 1-hexoxyhexane
    • dihexylether
    • Bis(1-hexyl)ether
    • Ether, dihexyl
    • Bis(1-hexyl) ether
    • 1,1'-Oxybis(hexane)
    • NSC 9286
    • EINECS 203-987-8
    • 1-(Hexyloxy)hexane
    • BRN 1738177
    • AI3-01454
    • W1U07QA435
    • NSC-9286
    • UNII-W1U07QA435
    • DTXSID8059421
    • EC 203-987-8
    • 4-01-00-01698 (Beilstein Handbook Reference)
    • MFCD00009525
    • hexylether
    • Dinhexyl ether
    • nHexyl ether
    • Bis(1hexyl)ether
    • Bis(1hexyl) ether
    • Hexane,1'-oxybis-
    • 1-(hexyloxy)-hexane
    • Hexyl ether (8CI)
    • 1,1'oxybis(hexane)
    • Dihexyl ether, 97%
    • Hexane, 1,1'oxybis
    • 1-(Hexyloxy)hexane #
    • 1,1'-OXYBISHEXANE
    • SCHEMBL66247
    • WLN: 6O6
    • DTXCID4033263
    • NSC9286
    • AKOS024390939
    • BS-23520
    • DB-041100
    • CS-0204272
    • H0138
    • NS00007660
    • Q63392163
    • 203-987-8

  • Applications

    Dihexyl ether (CAS 112-58-3) is primarily used as a high-boiling, nonpolar solvent in industrial formulations and as a reaction medium in chemical synthesis. In coatings, inks, and adhesives, it acts as a processing solvent that can improve dissolution and formulation performance. It may serve as a plasticizer or processing aid for polymer formulations, helping to modulate flexibility and processability. It is also employed as a cleaning solvent for industrial equipment and process vessels, especially in processes requiring low volatility and chemical compatibility. Additionally, Dihexyl ether can be considered as an intermediate in organic synthesis or incorporated as a component in formulation blends and additives, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3261.28
    methanol 1791.43
    isopropanol 4297.7
    water 0.06
    ethyl acetate 7877.83
    n-propanol 3777.53
    acetone 7205.44
    n-butanol 4927.33
    acetonitrile 3620.13
    DMF 2969.32
    toluene 3391.78
    isobutanol 3668.55
    1,4-dioxane 8270.13
    methyl acetate 4389.01
    THF 12334.49
    2-butanone 6121.31
    n-pentanol 3313.03
    sec-butanol 4634.96
    n-hexane 8100.38
    ethylene glycol 176.54
    NMP 3698.18
    cyclohexane 14683.55
    DMSO 4138.55
    n-butyl acetate 11604.33
    n-octanol 2329.47
    chloroform 15011.57
    n-propyl acetate 6420.55
    acetic acid 2399.89
    dichloromethane 13509.98
    cyclohexanone 12159.0
    propylene glycol 470.19
    isopropyl acetate 5936.53
    DMAc 2461.8
    2-ethoxyethanol 2523.56
    isopentanol 5216.38
    n-heptane 8528.81
    ethyl formate 3018.43
    1,2-dichloroethane 9620.81
    n-hexanol 5658.85
    2-methoxyethanol 3159.99
    isobutyl acetate 3965.24
    tetrachloromethane 4553.28
    n-pentyl acetate 5677.66
    transcutol 9063.47
    n-heptanol 2377.43
    ethylbenzene 2260.12
    MIBK 4292.66
    2-propoxyethanol 4501.36
    tert-butanol 6738.92
    MTBE 9258.03
    2-butoxyethanol 2929.59
    propionic acid 2459.42
    o-xylene 2245.39
    formic acid 215.84
    diethyl ether 11406.77
    m-xylene 2184.38
    p-xylene 3076.28
    chlorobenzene 4527.99
    dimethyl carbonate 775.14
    n-octane 2016.36
    formamide 379.04
    cyclopentanone 8076.38
    2-pentanone 7056.49
    anisole 2692.0
    cyclopentyl methyl ether 9005.56
    gamma-butyrolactone 6639.88
    1-methoxy-2-propanol 3201.77
    pyridine 6716.83
    3-pentanone 5006.6
    furfural 4207.12
    n-dodecane 753.79
    diethylene glycol 1373.23
    diisopropyl ether 4660.19
    tert-amyl alcohol 5583.88
    acetylacetone 5068.16
    n-hexadecane 899.79
    acetophenone 2479.23
    methyl propionate 3616.62
    isopentyl acetate 8875.26
    trichloroethylene 12824.47
    n-nonanol 2152.59
    cyclohexanol 7235.2
    benzyl alcohol 1685.7
    2-ethylhexanol 5679.36
    isooctanol 2370.27
    dipropyl ether 13147.69
    1,2-dichlorobenzene 4090.75
    ethyl lactate 1300.21
    propylene carbonate 4207.24
    n-methylformamide 1268.33
    2-pentanol 4940.23
    n-pentane 5423.06
    1-propoxy-2-propanol 5919.82
    1-methoxy-2-propyl acetate 4801.45
    2-(2-methoxypropoxy) propanol 1752.39
    mesitylene 1768.61
    ε-caprolactone 8479.56
    p-cymene 2445.65
    epichlorohydrin 7892.1
    1,1,1-trichloroethane 12380.48
    2-aminoethanol 629.76
    morpholine-4-carbaldehyde 3722.3
    sulfolane 6216.46
    2,2,4-trimethylpentane 1502.88
    2-methyltetrahydrofuran 12231.14
    n-hexyl acetate 6048.05
    isooctane 1335.06
    2-(2-butoxyethoxy)ethanol 2746.34
    sec-butyl acetate 4795.02
    tert-butyl acetate 6122.27
    decalin 2859.16
    glycerin 479.52
    diglyme 6067.33
    acrylic acid 1370.45
    isopropyl myristate 2234.31
    n-butyric acid 6461.23
    acetyl acetate 3808.74
    di(2-ethylhexyl) phthalate 1098.46
    ethyl propionate 5113.55
    nitromethane 3629.66
    1,2-diethoxyethane 8671.94
    benzonitrile 3233.84
    trioctyl phosphate 1046.5
    1-bromopropane 11537.82
    gamma-valerolactone 7655.59
    n-decanol 1496.63
    triethyl phosphate 2243.27
    4-methyl-2-pentanol 2846.26
    propionitrile 4340.08
    vinylene carbonate 3020.16
    1,1,2-trichlorotrifluoroethane 4197.57
    DMS 2250.07
    cumene 1610.12
    2-octanol 2082.87
    2-hexanone 5753.18
    octyl acetate 2291.54
    limonene 5220.61
    1,2-dimethoxyethane 7199.69
    ethyl orthosilicate 2695.71
    tributyl phosphate 1586.11
    diacetone alcohol 3519.15
    N,N-dimethylaniline 1854.89
    acrylonitrile 3218.89
    aniline 2824.97
    1,3-propanediol 1504.44
    bromobenzene 5485.99
    dibromomethane 12045.7
    1,1,2,2-tetrachloroethane 11965.04
    2-methyl-cyclohexyl acetate 4133.12
    tetrabutyl urea 1882.61
    diisobutyl methanol 3817.07
    2-phenylethanol 2172.89
    styrene 2831.55
    dioctyl adipate 2490.32
    dimethyl sulfate 1114.25
    ethyl butyrate 8665.48
    methyl lactate 936.79
    butyl lactate 2662.54
    diethyl carbonate 4048.1
    propanediol butyl ether 1640.63
    triethyl orthoformate 5732.41
    p-tert-butyltoluene 2362.75
    methyl 4-tert-butylbenzoate 2001.63
    morpholine 9357.62
    tert-butylamine 6618.96
    n-dodecanol 1174.07
    dimethoxymethane 2830.62
    ethylene carbonate 3549.13
    cyrene 1159.7
    2-ethoxyethyl acetate 4173.52
    2-ethylhexyl acetate 7538.03
    1,2,4-trichlorobenzene 4012.28
    4-methylpyridine 6305.49
    dibutyl ether 9427.35
    2,6-dimethyl-4-heptanol 3817.07
    DEF 5894.06
    dimethyl isosorbide 3171.32
    tetrachloroethylene 8197.84
    eugenol 1486.37
    triacetin 2976.17
    span 80 2228.99
    1,4-butanediol 589.76
    1,1-dichloroethane 11174.9
    2-methyl-1-pentanol 3270.64
    methyl formate 972.29
    2-methyl-1-butanol 4240.71
    n-decane 1652.28
    butyronitrile 6436.13
    3,7-dimethyl-1-octanol 3056.45
    1-chlorooctane 3691.36
    1-chlorotetradecane 1228.77
    n-nonane 2036.81
    undecane 1030.25
    tert-butylcyclohexane 2313.5
    cyclooctane 3815.0
    cyclopentanol 5282.13
    tetrahydropyran 17013.32
    tert-amyl methyl ether 5869.08
    2,5,8-trioxanonane 2988.64
    1-hexene 10478.06
    2-isopropoxyethanol 2450.54
    2,2,2-trifluoroethanol 586.91
    methyl butyrate 7096.95

    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