1-(1-Butoxyethoxy)hexane

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  • Identifiers

    Molecular formula
    C12H26O2

    SMILES
    CCCCCCOC(C)OCCCC

  • Odor profile

    Green 97.49%
    Cognac 69.94%
    Alcoholic 63.2%
    Apple 60.74%
    Vegetable 59.26%
    Ethereal 58.72%
    Herbal 47.66%
    Fruity 47.37%
    Oily 45.79%
    Leafy 42.7%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point est.
    82.99 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10821.85
    methanol 7758.72
    isopropanol 10638.44
    water 0.39
    ethyl acetate 13413.59
    n-propanol 10011.84
    acetone 13198.3
    n-butanol 10795.72
    acetonitrile 8695.82
    DMF 5168.42
    toluene 4870.07
    isobutanol 8431.66
    1,4-dioxane 13119.71
    methyl acetate 7733.39
    THF 15184.06
    2-butanone 10031.22
    n-pentanol 7406.78
    sec-butanol 10946.45
    n-hexane 10273.83
    ethylene glycol 557.37
    NMP 5275.31
    cyclohexane 14546.24
    DMSO 8545.9
    n-butyl acetate 14533.37
    n-octanol 3963.1
    chloroform 22288.56
    n-propyl acetate 9581.52
    acetic acid 6147.11
    dichloromethane 20597.02
    cyclohexanone 16793.0
    propylene glycol 1115.83
    isopropyl acetate 9213.76
    DMAc 4576.62
    2-ethoxyethanol 5224.59
    isopentanol 9718.01
    n-heptane 6299.98
    ethyl formate 5417.7
    1,2-dichloroethane 13682.69
    n-hexanol 8895.99
    2-methoxyethanol 6547.34
    isobutyl acetate 5293.89
    tetrachloromethane 5553.96
    n-pentyl acetate 7826.99
    transcutol 13488.59
    n-heptanol 3433.97
    ethylbenzene 2991.42
    MIBK 5935.45
    2-propoxyethanol 7053.83
    tert-butanol 12806.83
    MTBE 15355.11
    2-butoxyethanol 4016.88
    propionic acid 5253.62
    o-xylene 3042.21
    formic acid 781.72
    diethyl ether 18508.8
    m-xylene 2908.29
    p-xylene 4273.17
    chlorobenzene 5982.53
    dimethyl carbonate 1235.4
    n-octane 1724.24
    formamide 1156.11
    cyclopentanone 10228.31
    2-pentanone 10364.19
    anisole 3705.36
    cyclopentyl methyl ether 11466.84
    gamma-butyrolactone 8647.77
    1-methoxy-2-propanol 5550.1
    pyridine 10262.18
    3-pentanone 7145.37
    furfural 5711.47
    n-dodecane 779.58
    diethylene glycol 2412.99
    diisopropyl ether 5982.88
    tert-amyl alcohol 11733.09
    acetylacetone 7368.45
    n-hexadecane 916.16
    acetophenone 3390.02
    methyl propionate 5910.76
    isopentyl acetate 10686.69
    trichloroethylene 17396.36
    n-nonanol 3253.77
    cyclohexanol 12563.23
    benzyl alcohol 2715.17
    2-ethylhexanol 7203.95
    isooctanol 2989.81
    dipropyl ether 12869.43
    1,2-dichlorobenzene 4893.91
    ethyl lactate 1937.59
    propylene carbonate 5476.14
    n-methylformamide 2848.49
    2-pentanol 9128.18
    n-pentane 6616.06
    1-propoxy-2-propanol 7436.43
    1-methoxy-2-propyl acetate 5847.36
    2-(2-methoxypropoxy) propanol 2450.22
    mesitylene 2131.07
    ε-caprolactone 12670.09
    p-cymene 2407.22
    epichlorohydrin 10762.36
    1,1,1-trichloroethane 15420.22
    2-aminoethanol 1733.99
    morpholine-4-carbaldehyde 5619.32
    sulfolane 8236.07
    2,2,4-trimethylpentane 1844.38
    2-methyltetrahydrofuran 17399.25
    n-hexyl acetate 8538.36
    isooctane 1335.54
    2-(2-butoxyethoxy)ethanol 3791.47
    sec-butyl acetate 6496.33
    tert-butyl acetate 8027.73
    decalin 3012.65
    glycerin 1093.37
    diglyme 7875.13
    acrylic acid 2875.65
    isopropyl myristate 2589.94
    n-butyric acid 11796.66
    acetyl acetate 6062.66
    di(2-ethylhexyl) phthalate 1427.46
    ethyl propionate 7060.92
    nitromethane 7462.46
    1,2-diethoxyethane 11185.59
    benzonitrile 5143.09
    trioctyl phosphate 1331.73
    1-bromopropane 15317.06
    gamma-valerolactone 10570.97
    n-decanol 2132.86
    triethyl phosphate 2357.03
    4-methyl-2-pentanol 4236.37
    propionitrile 7602.07
    vinylene carbonate 4500.15
    1,1,2-trichlorotrifluoroethane 6213.32
    DMS 3072.16
    cumene 1992.28
    2-octanol 3125.11
    2-hexanone 8629.21
    octyl acetate 2924.36
    limonene 5246.38
    1,2-dimethoxyethane 11598.51
    ethyl orthosilicate 2748.0
    tributyl phosphate 1976.73
    diacetone alcohol 4922.02
    N,N-dimethylaniline 2378.95
    acrylonitrile 5868.7
    aniline 4624.58
    1,3-propanediol 3537.62
    bromobenzene 7373.57
    dibromomethane 17774.86
    1,1,2,2-tetrachloroethane 15910.62
    2-methyl-cyclohexyl acetate 4411.46
    tetrabutyl urea 2342.21
    diisobutyl methanol 3638.79
    2-phenylethanol 3004.76
    styrene 3923.35
    dioctyl adipate 2941.15
    dimethyl sulfate 1667.19
    ethyl butyrate 9308.68
    methyl lactate 1508.22
    butyl lactate 3517.19
    diethyl carbonate 4408.16
    propanediol butyl ether 2825.61
    triethyl orthoformate 5688.29
    p-tert-butyltoluene 2208.92
    methyl 4-tert-butylbenzoate 2438.68
    morpholine 16223.49
    tert-butylamine 11082.94
    n-dodecanol 1589.55
    dimethoxymethane 4614.59
    ethylene carbonate 5117.24
    cyrene 1597.36
    2-ethoxyethyl acetate 5858.72
    2-ethylhexyl acetate 8815.04
    1,2,4-trichlorobenzene 4988.44
    4-methylpyridine 10306.36
    dibutyl ether 11244.2
    2,6-dimethyl-4-heptanol 3638.79
    DEF 9015.45
    dimethyl isosorbide 3701.16
    tetrachloroethylene 11165.56
    eugenol 1956.1
    triacetin 4013.92
    span 80 3040.97
    1,4-butanediol 1507.1
    1,1-dichloroethane 16252.42
    2-methyl-1-pentanol 6342.19
    methyl formate 1954.64
    2-methyl-1-butanol 8872.11
    n-decane 1675.98
    butyronitrile 11031.63
    3,7-dimethyl-1-octanol 4107.87
    1-chlorooctane 4306.52
    1-chlorotetradecane 1365.54
    n-nonane 2036.26
    undecane 1062.48
    tert-butylcyclohexane 2456.83
    cyclooctane 3347.87
    cyclopentanol 8862.36
    tetrahydropyran 25540.97
    tert-amyl methyl ether 9300.84
    2,5,8-trioxanonane 3933.22
    1-hexene 15875.09
    2-isopropoxyethanol 4339.9
    2,2,2-trifluoroethanol 1345.5
    methyl butyrate 10116.26

    Scent© AI

1 3

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