1-(Hexyloxy)-1-(3-methylbutoxy)hexane

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  • Identifiers

    CAS number
    896447-13-5

    Molecular formula
    C17H36O2

    SMILES
    CCCCCCOC(CCCCC)OCCC(C)C

  • Odor profile

    Fragrance
    Green 96.52%
    Cognac 66.35%
    Apple 64.04%
    Oily 63.44%
    Alcoholic 54.77%
    Fermented 45.7%
    Vegetable 40.49%
    Sweet 38.57%
    Ethereal 35.23%
    Herbal 35.21%

     

    Flavor
    Green 59.92%
    Fruity 46.08%
    Floral 40.42%
    Waxy 35.39%
    Mushroom 35.3%
    Oily 35.13%
    Herbal 34.73%
    Fatty 31.11%
    Earthy 30.79%
    Fresh 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.62 (neutral)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 118.74 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • HEXANAL HEXYL ISOAMYL ACETAL
    • 1-Hexoxy-1-isopentyloxy-hexane
    • 896447-13-5
    • UNII-7ZP0QL6F0R
    • 7ZP0QL6F0R
    • (+/-)-1-Hexoxy-1-isopentyloxy-hexane
    • 1-Hexoxy-1-isopentyloxy-hexane, (+/-)-
    • Hexane, 1-(hexyloxy)-1-(3-methylbutoxy)-
    • FEMA No. 4369, 1-hexoxy-1-isopentyloxy-
    • 1-(HEXYLOXY)-1-(3-METHYLBUTOXY)HEXANE
    • DTXSID701008907
    • E4STT2V1RL
    • FEMA NO. 4369
    • SCHEMBL18338907
    • 1,1-Bis(3-methylbutoxy)-Hexane
    • DTXCID001435737
    • HEXANAL HEXYL ISOAMYL ACETAL [FHFI]
    • Q27269079

  • Applications

    1-(Hexyloxy)-1-(3-methylbutoxy)hexane (CAS 896447-13-5) is a bulky dialkyl ether with low polarity, commonly used as a solvent for coatings, inks, and adhesives in industrial and formulation contexts; it can act as a processing aid and, in some cases, as a plasticizer for certain polymers, helping improve processability and flexibility. In cosmetics and personal care, it may serve as a solvent for fragrance components and as a carrier for aroma compounds. In household cleaning and consumer products, it can function as a nonpolar solvent to dissolve oils and waxes in formulations. Additionally, it may be used as an intermediate or building block for the synthesis of specialty chemicals or as a processing intermediate in various manufacturing routes, depending on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15707.02
    methanol 8618.38
    isopropanol 16461.63
    water 0.45
    ethyl acetate 33501.95
    n-propanol 15252.35
    acetone 29067.04
    n-butanol 18393.99
    acetonitrile 12978.21
    DMF 11145.88
    toluene 11642.35
    isobutanol 15195.64
    1,4-dioxane 26070.93
    methyl acetate 16345.19
    THF 33708.59
    2-butanone 22158.87
    n-pentanol 11836.6
    sec-butanol 18116.77
    n-hexane 17300.07
    ethylene glycol 519.42
    NMP 12581.3
    cyclohexane 35519.33
    DMSO 13964.06
    n-butyl acetate 35934.42
    n-octanol 8297.24
    chloroform 37704.32
    n-propyl acetate 24667.38
    acetic acid 10843.9
    dichloromethane 37608.15
    cyclohexanone 41246.52
    propylene glycol 1326.9
    isopropyl acetate 26834.39
    DMAc 11681.45
    2-ethoxyethanol 8925.94
    isopentanol 20212.58
    n-heptane 13897.58
    ethyl formate 11194.15
    1,2-dichloroethane 30228.12
    n-hexanol 14282.27
    2-methoxyethanol 10965.68
    isobutyl acetate 14698.8
    tetrachloromethane 10690.26
    n-pentyl acetate 21940.45
    transcutol 30404.32
    n-heptanol 7985.12
    ethylbenzene 7511.2
    MIBK 17273.68
    2-propoxyethanol 12457.69
    tert-butanol 22719.46
    MTBE 35080.31
    2-butoxyethanol 9767.95
    propionic acid 9381.07
    o-xylene 7921.13
    formic acid 1097.84
    diethyl ether 39330.23
    m-xylene 7547.19
    p-xylene 10933.5
    chlorobenzene 13823.48
    dimethyl carbonate 3300.64
    n-octane 4200.81
    formamide 1959.4
    cyclopentanone 24359.87
    2-pentanone 26873.2
    anisole 8606.68
    cyclopentyl methyl ether 26680.14
    gamma-butyrolactone 20682.09
    1-methoxy-2-propanol 10902.59
    pyridine 20708.66
    3-pentanone 18325.58
    furfural 12192.66
    n-dodecane 1801.19
    diethylene glycol 3656.93
    diisopropyl ether 17985.61
    tert-amyl alcohol 21914.16
    acetylacetone 21527.29
    n-hexadecane 2174.3
    acetophenone 8474.07
    methyl propionate 14891.38
    isopentyl acetate 30513.48
    trichloroethylene 37625.1
    n-nonanol 7437.83
    cyclohexanol 25151.06
    benzyl alcohol 5386.6
    2-ethylhexanol 14607.73
    isooctanol 7570.69
    dipropyl ether 29066.08
    1,2-dichlorobenzene 12002.28
    ethyl lactate 4442.22
    propylene carbonate 14470.38
    n-methylformamide 5292.27
    2-pentanol 18009.28
    n-pentane 12498.46
    1-propoxy-2-propanol 15095.48
    1-methoxy-2-propyl acetate 15687.12
    2-(2-methoxypropoxy) propanol 5496.59
    mesitylene 5904.03
    ε-caprolactone 31284.16
    p-cymene 6366.7
    epichlorohydrin 24631.93
    1,1,1-trichloroethane 34261.24
    2-aminoethanol 2065.57
    morpholine-4-carbaldehyde 12923.65
    sulfolane 18217.47
    2,2,4-trimethylpentane 4930.37
    2-methyltetrahydrofuran 37510.64
    n-hexyl acetate 23791.82
    isooctane 3759.85
    2-(2-butoxyethoxy)ethanol 8829.7
    sec-butyl acetate 20063.93
    tert-butyl acetate 25143.99
    decalin 7777.82
    glycerin 1347.62
    diglyme 20481.0
    acrylic acid 4891.56
    isopropyl myristate 7707.19
    n-butyric acid 25220.31
    acetyl acetate 16430.99
    di(2-ethylhexyl) phthalate 3343.95
    ethyl propionate 19520.25
    nitromethane 16263.14
    1,2-diethoxyethane 27410.27
    benzonitrile 9942.02
    trioctyl phosphate 3433.57
    1-bromopropane 30047.72
    gamma-valerolactone 27181.62
    n-decanol 4902.55
    triethyl phosphate 5949.67
    4-methyl-2-pentanol 10541.4
    propionitrile 12482.8
    vinylene carbonate 10263.68
    1,1,2-trichlorotrifluoroethane 12012.65
    DMS 8399.63
    cumene 5102.76
    2-octanol 7414.15
    2-hexanone 19931.38
    octyl acetate 8597.93
    limonene 13638.91
    1,2-dimethoxyethane 22375.76
    ethyl orthosilicate 7146.96
    tributyl phosphate 5147.84
    diacetone alcohol 13828.9
    N,N-dimethylaniline 5878.1
    acrylonitrile 8813.11
    aniline 9094.1
    1,3-propanediol 5800.19
    bromobenzene 16815.69
    dibromomethane 31676.46
    1,1,2,2-tetrachloroethane 34111.7
    2-methyl-cyclohexyl acetate 12015.4
    tetrabutyl urea 6554.08
    diisobutyl methanol 9458.1
    2-phenylethanol 5967.15
    styrene 8863.2
    dioctyl adipate 7779.76
    dimethyl sulfate 4082.0
    ethyl butyrate 27572.65
    methyl lactate 3520.5
    butyl lactate 9601.29
    diethyl carbonate 11982.5
    propanediol butyl ether 5965.19
    triethyl orthoformate 15586.12
    p-tert-butyltoluene 5728.91
    methyl 4-tert-butylbenzoate 6649.63
    morpholine 29907.06
    tert-butylamine 19429.54
    n-dodecanol 3620.99
    dimethoxymethane 10817.92
    ethylene carbonate 12973.15
    cyrene 3318.42
    2-ethoxyethyl acetate 17602.14
    2-ethylhexyl acetate 24634.3
    1,2,4-trichlorobenzene 11750.43
    4-methylpyridine 22744.95
    dibutyl ether 27925.97
    2,6-dimethyl-4-heptanol 9458.1
    DEF 22553.52
    dimethyl isosorbide 8516.98
    tetrachloroethylene 24039.41
    eugenol 4761.51
    triacetin 11210.73
    span 80 6334.42
    1,4-butanediol 2095.26
    1,1-dichloroethane 32944.29
    2-methyl-1-pentanol 11979.64
    methyl formate 3840.32
    2-methyl-1-butanol 17201.93
    n-decane 4151.04
    butyronitrile 20392.34
    3,7-dimethyl-1-octanol 10271.81
    1-chlorooctane 11107.71
    1-chlorotetradecane 3455.0
    n-nonane 4923.52
    undecane 2523.81
    tert-butylcyclohexane 6146.62
    cyclooctane 9206.25
    cyclopentanol 15835.66
    tetrahydropyran 53010.72
    tert-amyl methyl ether 22593.48
    2,5,8-trioxanonane 8243.91
    1-hexene 26656.78
    2-isopropoxyethanol 8320.75
    2,2,2-trifluoroethanol 2682.03
    methyl butyrate 26058.25

    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