Methyl hexyl ether

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  • Identifiers

    CAS number
    4747-07-3

    Molecular formula
    C7H16O

    SMILES
    CCCCCCOC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Green 86.55%
    Sweet 78.86%
    Fruity 78.22%
    Floral 60.6%
    Fresh 57.39%
    Herbal 55.62%
    Ethereal 47.41%
    Apple 46.53%
    Fatty 46.4%
    Vegetable 42.49%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    125°C

    Flash point est.
    17.39 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-Methoxyhexane
    • Hexyl methyl ether
    • 4747-07-3
    • Methyl hexyl ether
    • Hexane, 1-methoxy-
    • n-Hexyl Methyl Ether
    • Ether, hexyl methyl
    • N-HEXYLMETHYLETHER
    • Methyl-n-Hexyl ether
    • 1-Methoxy-Hexane
    • R99K6ANQ7T
    • DIOLA
    • UNII-R99K6ANQ7T
    • DTXSID3063594
    • FEMA NO. 4291
    • ICBJCVRQDSQPGI-UHFFFAOYSA-
    • METHYL HEXYL ETHER [FHFI]
    • EINECS 225-263-0
    • methyl n-hexyl ether
    • MFCD00015350
    • 1-Methoxyhexane, AldrichCPR
    • SCHEMBL57897
    • SCHEMBL6851067
    • DTXCID3040568
    • CHEBI:179171
    • METHYL HEXYL ETHER [INCI]
    • AKOS002314381
    • AS-81670
    • H0930
    • NS00012906
    • D90977
    • Q3333699

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12626.82
    methanol 10154.53
    isopropanol 10369.54
    water 1.62
    ethyl acetate 6595.7
    n-propanol 10297.94
    acetone 7722.35
    n-butanol 11205.99
    acetonitrile 5965.92
    DMF 3592.26
    toluene 2045.5
    isobutanol 7110.84
    1,4-dioxane 9801.62
    methyl acetate 4488.29
    THF 10708.73
    2-butanone 5397.31
    n-pentanol 5506.8
    sec-butanol 8679.6
    n-hexane 3186.11
    ethylene glycol 1452.33
    NMP 2379.2
    cyclohexane 5805.69
    DMSO 4856.08
    n-butyl acetate 6781.27
    n-octanol 1785.8
    chloroform 13886.21
    n-propyl acetate 3625.99
    acetic acid 7306.33
    dichloromethane 11024.26
    cyclohexanone 7580.82
    propylene glycol 2219.39
    isopropyl acetate 3208.6
    DMAc 1801.49
    2-ethoxyethanol 4690.96
    isopentanol 7683.93
    n-heptane 3217.96
    ethyl formate 3716.86
    1,2-dichloroethane 6750.74
    n-hexanol 7890.81
    2-methoxyethanol 7805.98
    isobutyl acetate 1924.99
    tetrachloromethane 4027.77
    n-pentyl acetate 2374.58
    transcutol 9064.71
    n-heptanol 2207.31
    ethylbenzene 1015.7
    MIBK 2149.95
    2-propoxyethanol 6679.9
    tert-butanol 10666.74
    MTBE 7258.82
    2-butoxyethanol 2965.73
    propionic acid 5057.42
    o-xylene 1007.97
    formic acid 1324.45
    diethyl ether 9953.34
    m-xylene 1090.87
    p-xylene 1196.91
    chlorobenzene 2756.18
    dimethyl carbonate 577.22
    n-octane 613.73
    formamide 1479.68
    cyclopentanone 5386.23
    2-pentanone 4910.2
    anisole 1673.5
    cyclopentyl methyl ether 5742.36
    gamma-butyrolactone 5108.46
    1-methoxy-2-propanol 5174.11
    pyridine 6505.9
    3-pentanone 2921.2
    furfural 3843.31
    n-dodecane 248.3
    diethylene glycol 3701.92
    diisopropyl ether 2093.5
    tert-amyl alcohol 7435.51
    acetylacetone 2987.93
    n-hexadecane 286.77
    acetophenone 1145.21
    methyl propionate 2932.64
    isopentyl acetate 4349.44
    trichloroethylene 9730.33
    n-nonanol 1473.94
    cyclohexanol 8470.46
    benzyl alcohol 1649.03
    2-ethylhexanol 4557.53
    isooctanol 1667.16
    dipropyl ether 6732.17
    1,2-dichlorobenzene 1977.06
    ethyl lactate 1009.44
    propylene carbonate 3100.74
    n-methylformamide 2768.35
    2-pentanol 6792.2
    n-pentane 3501.05
    1-propoxy-2-propanol 5847.58
    1-methoxy-2-propyl acetate 2756.79
    2-(2-methoxypropoxy) propanol 1333.83
    mesitylene 696.96
    ε-caprolactone 5893.35
    p-cymene 981.63
    epichlorohydrin 6403.87
    1,1,1-trichloroethane 7805.13
    2-aminoethanol 3476.78
    morpholine-4-carbaldehyde 3546.82
    sulfolane 3731.8
    2,2,4-trimethylpentane 701.94
    2-methyltetrahydrofuran 10614.63
    n-hexyl acetate 2679.96
    isooctane 595.55
    2-(2-butoxyethoxy)ethanol 2493.28
    sec-butyl acetate 2086.58
    tert-butyl acetate 2660.44
    decalin 868.19
    glycerin 2123.33
    diglyme 4600.46
    acrylic acid 3206.6
    isopropyl myristate 834.06
    n-butyric acid 10045.23
    acetyl acetate 2695.43
    di(2-ethylhexyl) phthalate 566.26
    ethyl propionate 2464.57
    nitromethane 5929.25
    1,2-diethoxyethane 5076.22
    benzonitrile 2576.16
    trioctyl phosphate 505.05
    1-bromopropane 8151.12
    gamma-valerolactone 6264.34
    n-decanol 988.5
    triethyl phosphate 875.95
    4-methyl-2-pentanol 2580.73
    propionitrile 5698.74
    vinylene carbonate 2585.21
    1,1,2-trichlorotrifluoroethane 4777.7
    DMS 1044.59
    cumene 615.1
    2-octanol 1409.0
    2-hexanone 3363.21
    octyl acetate 1016.86
    limonene 2139.2
    1,2-dimethoxyethane 6733.03
    ethyl orthosilicate 1069.87
    tributyl phosphate 682.55
    diacetone alcohol 2449.97
    N,N-dimethylaniline 861.08
    acrylonitrile 4660.29
    aniline 2864.75
    1,3-propanediol 5243.18
    bromobenzene 2801.88
    dibromomethane 9490.24
    1,1,2,2-tetrachloroethane 8091.29
    2-methyl-cyclohexyl acetate 1698.55
    tetrabutyl urea 762.4
    diisobutyl methanol 2155.2
    2-phenylethanol 1934.31
    styrene 1434.86
    dioctyl adipate 1001.63
    dimethyl sulfate 664.15
    ethyl butyrate 4005.8
    methyl lactate 1078.67
    butyl lactate 1407.55
    diethyl carbonate 1754.49
    propanediol butyl ether 1947.97
    triethyl orthoformate 2434.43
    p-tert-butyltoluene 929.02
    methyl 4-tert-butylbenzoate 888.21
    morpholine 12420.57
    tert-butylamine 8500.27
    n-dodecanol 719.28
    dimethoxymethane 2626.64
    ethylene carbonate 2741.08
    cyrene 820.6
    2-ethoxyethyl acetate 2127.98
    2-ethylhexyl acetate 3269.25
    1,2,4-trichlorobenzene 2051.93
    4-methylpyridine 4891.0
    dibutyl ether 3762.04
    2,6-dimethyl-4-heptanol 2155.2
    DEF 4073.62
    dimethyl isosorbide 1741.22
    tetrachloroethylene 6320.15
    eugenol 921.39
    triacetin 1424.41
    span 80 1833.26
    1,4-butanediol 1824.15
    1,1-dichloroethane 9022.99
    2-methyl-1-pentanol 3785.93
    methyl formate 1725.24
    2-methyl-1-butanol 6368.15
    n-decane 533.69
    butyronitrile 8324.59
    3,7-dimethyl-1-octanol 1908.02
    1-chlorooctane 1398.35
    1-chlorotetradecane 426.35
    n-nonane 655.72
    undecane 341.61
    tert-butylcyclohexane 769.24
    cyclooctane 1196.46
    cyclopentanol 7299.51
    tetrahydropyran 15135.48
    tert-amyl methyl ether 3860.02
    2,5,8-trioxanonane 2185.28
    1-hexene 6530.52
    2-isopropoxyethanol 3148.0
    2,2,2-trifluoroethanol 1378.79
    methyl butyrate 3674.48

    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

Botanical

Name CAS Botanical Proportion
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.09%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.05%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.06%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.01%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%