1-butoxy-1-hexoxyhexane

  • Identifiers

    Molecular formula
    C16H34O2

    SMILES
    CCCCCCOC(CCCCC)OCCCC

  • Odor profile

    Fragrance
    Green 96.31%
    Apple 66.27%
    Oily 65.46%
    Cognac 65.35%
    Alcoholic 50.99%
    Vegetable 44.07%
    Herbal 41.58%
    Fermented 41.37%
    Sweet 38.96%
    Ethereal 34.32%

     

    Flavor
    Green 60.07%
    Fruity 56.52%
    Floral 43.68%
    Herbal 42.56%
    Mushroom 39.95%
    Waxy 36.96%
    Earthy 34.93%
    Fatty 34.52%
    Oily 33.04%
    Rose 31.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    6.57 (neutral)

    Molecular weight
    258.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 116.47 ˚C est.

  • Applications

    1-butoxy-1-hexoxyhexane can serve as a non-polar solvent and processing aid in coating formulations, inks, and adhesive systems; it also functions as a plasticizer for polymers and synthetic rubbers, improving material properties and processing. Additionally, it may act as an intermediate in organic synthesis for specialty chemicals, and as a component in industrial cleaning and degreasing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17182.68
    methanol 10267.68
    isopropanol 19209.39
    water 0.43
    ethyl acetate 43623.3
    n-propanol 18206.34
    acetone 38142.65
    n-butanol 21614.44
    acetonitrile 19996.53
    DMF 16537.93
    toluene 16528.82
    isobutanol 18245.29
    1,4-dioxane 31965.8
    methyl acetate 21493.76
    THF 39826.99
    2-butanone 30463.04
    n-pentanol 13457.32
    sec-butanol 21355.44
    n-hexane 22345.56
    ethylene glycol 624.86
    NMP 18001.93
    cyclohexane 48938.62
    DMSO 19648.26
    n-butyl acetate 46975.32
    n-octanol 10097.23
    chloroform 51173.44
    n-propyl acetate 32271.14
    acetic acid 12494.82
    dichloromethane 54173.4
    cyclohexanone 55554.41
    propylene glycol 1465.39
    isopropyl acetate 34199.61
    DMAc 15480.1
    2-ethoxyethanol 10602.07
    isopentanol 22792.97
    n-heptane 18174.61
    ethyl formate 15093.45
    1,2-dichloroethane 43424.98
    n-hexanol 16772.86
    2-methoxyethanol 13298.57
    isobutyl acetate 18246.94
    tetrachloromethane 15127.93
    n-pentyl acetate 28558.39
    transcutol 32468.76
    n-heptanol 9382.62
    ethylbenzene 10381.39
    MIBK 21371.71
    2-propoxyethanol 14288.27
    tert-butanol 25956.61
    MTBE 42392.78
    2-butoxyethanol 11234.14
    propionic acid 11284.52
    o-xylene 10608.11
    formic acid 1268.7
    diethyl ether 49612.81
    m-xylene 10064.48
    p-xylene 14697.46
    chlorobenzene 19620.89
    dimethyl carbonate 4650.32
    n-octane 5480.51
    formamide 2526.79
    cyclopentanone 34298.02
    2-pentanone 36359.34
    anisole 11758.26
    cyclopentyl methyl ether 34907.99
    gamma-butyrolactone 27824.34
    1-methoxy-2-propanol 12756.31
    pyridine 31270.53
    3-pentanone 25578.16
    furfural 16896.67
    n-dodecane 2208.54
    diethylene glycol 4118.68
    diisopropyl ether 21259.32
    tert-amyl alcohol 25031.6
    acetylacetone 27010.42
    n-hexadecane 2715.62
    acetophenone 11784.31
    methyl propionate 19960.78
    isopentyl acetate 37492.18
    trichloroethylene 53726.18
    n-nonanol 8801.39
    cyclohexanol 32001.25
    benzyl alcohol 7053.97
    2-ethylhexanol 17685.7
    isooctanol 8982.69
    dipropyl ether 38041.69
    1,2-dichlorobenzene 16954.87
    ethyl lactate 5510.34
    propylene carbonate 18387.41
    n-methylformamide 7943.4
    2-pentanol 21704.65
    n-pentane 16439.32
    1-propoxy-2-propanol 17774.06
    1-methoxy-2-propyl acetate 18188.77
    2-(2-methoxypropoxy) propanol 6133.69
    mesitylene 7602.33
    ε-caprolactone 40530.96
    p-cymene 8449.08
    epichlorohydrin 32187.36
    1,1,1-trichloroethane 47225.92
    2-aminoethanol 2433.97
    morpholine-4-carbaldehyde 16164.1
    sulfolane 24488.57
    2,2,4-trimethylpentane 5527.92
    2-methyltetrahydrofuran 47289.98
    n-hexyl acetate 29062.75
    isooctane 4303.67
    2-(2-butoxyethoxy)ethanol 9563.73
    sec-butyl acetate 24730.7
    tert-butyl acetate 29862.95
    decalin 9843.49
    glycerin 1495.97
    diglyme 23548.18
    acrylic acid 6296.91
    isopropyl myristate 8971.46
    n-butyric acid 30429.16
    acetyl acetate 21138.86
    di(2-ethylhexyl) phthalate 3927.53
    ethyl propionate 26331.4
    nitromethane 21248.24
    1,2-diethoxyethane 33826.43
    benzonitrile 14635.88
    trioctyl phosphate 3985.73
    1-bromopropane 43494.26
    gamma-valerolactone 34580.42
    n-decanol 5647.62
    triethyl phosphate 7746.82
    4-methyl-2-pentanol 11593.85
    propionitrile 19366.67
    vinylene carbonate 13986.67
    1,1,2-trichlorotrifluoroethane 15436.33
    DMS 10400.68
    cumene 6627.55
    2-octanol 9020.41
    2-hexanone 25724.12
    octyl acetate 9955.33
    limonene 17599.86
    1,2-dimethoxyethane 28878.09
    ethyl orthosilicate 8929.86
    tributyl phosphate 6065.96
    diacetone alcohol 15693.0
    N,N-dimethylaniline 8127.08
    acrylonitrile 14225.47
    aniline 12485.88
    1,3-propanediol 6453.98
    bromobenzene 24530.4
    dibromomethane 44458.12
    1,1,2,2-tetrachloroethane 46732.35
    2-methyl-cyclohexyl acetate 14422.93
    tetrabutyl urea 7859.83
    diisobutyl methanol 11111.09
    2-phenylethanol 7303.25
    styrene 12983.45
    dioctyl adipate 9400.31
    dimethyl sulfate 5640.19
    ethyl butyrate 35123.71
    methyl lactate 4344.4
    butyl lactate 11499.59
    diethyl carbonate 15375.27
    propanediol butyl ether 6688.11
    triethyl orthoformate 19504.1
    p-tert-butyltoluene 7277.86
    methyl 4-tert-butylbenzoate 8190.7
    morpholine 37690.29
    tert-butylamine 22213.78
    n-dodecanol 4121.5
    dimethoxymethane 15027.23
    ethylene carbonate 16962.02
    cyrene 3829.36
    2-ethoxyethyl acetate 21079.38
    2-ethylhexyl acetate 30471.03
    1,2,4-trichlorobenzene 16049.77
    4-methylpyridine 33182.88
    dibutyl ether 36522.3
    2,6-dimethyl-4-heptanol 11111.09
    DEF 32238.38
    dimethyl isosorbide 9505.56
    tetrachloroethylene 32906.02
    eugenol 5804.13
    triacetin 12979.78
    span 80 7151.47
    1,4-butanediol 2411.4
    1,1-dichloroethane 45808.4
    2-methyl-1-pentanol 13516.56
    methyl formate 5570.62
    2-methyl-1-butanol 20330.1
    n-decane 5299.68
    butyronitrile 29272.48
    3,7-dimethyl-1-octanol 11882.67
    1-chlorooctane 14250.01
    1-chlorotetradecane 4141.91
    n-nonane 6219.37
    undecane 3112.19
    tert-butylcyclohexane 7475.6
    cyclooctane 12051.71
    cyclopentanol 20198.58
    tetrahydropyran 67537.36
    tert-amyl methyl ether 26891.75
    2,5,8-trioxanonane 9599.15
    1-hexene 34583.07
    2-isopropoxyethanol 9636.79
    2,2,2-trifluoroethanol 3158.93
    methyl butyrate 36341.04

    Scent© AI

1 of 3
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