1-(1-Hexoxy-3-methylbutoxy)hexane

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  • Identifiers

    Molecular formula
    C17H36O2

    SMILES
    CCCCCCOC(CC(C)C)OCCCCCC

  • Odor profile

    Green 96.66%
    Cognac 65.98%
    Apple 62.38%
    Oily 60.8%
    Alcoholic 56.19%
    Fermented 47.36%
    Vegetable 43.12%
    Sweet 38.52%
    Ethereal 38.28%
    Herbal 37.34%

    Scent© AI

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.77 (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 est.
    119.7 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10632.17
    methanol 5600.77
    isopropanol 13377.01
    water 0.48
    ethyl acetate 25153.38
    n-propanol 11835.04
    acetone 24877.03
    n-butanol 14796.38
    acetonitrile 10684.21
    DMF 11654.42
    toluene 10843.55
    isobutanol 13213.34
    1,4-dioxane 21404.17
    methyl acetate 13420.14
    THF 29953.51
    2-butanone 18953.82
    n-pentanol 9274.98
    sec-butanol 15561.53
    n-hexane 16392.31
    ethylene glycol 449.57
    NMP 13393.29
    cyclohexane 37273.9
    DMSO 12684.09
    n-butyl acetate 29651.33
    n-octanol 8449.51
    chloroform 39991.81
    n-propyl acetate 19891.37
    acetic acid 9003.97
    dichloromethane 36310.26
    cyclohexanone 42403.99
    propylene glycol 1245.52
    isopropyl acetate 20722.36
    DMAc 11089.42
    2-ethoxyethanol 6785.19
    isopentanol 16496.58
    n-heptane 14477.51
    ethyl formate 9830.14
    1,2-dichloroethane 28335.02
    n-hexanol 12294.88
    2-methoxyethanol 8794.1
    isobutyl acetate 12602.58
    tetrachloromethane 11756.93
    n-pentyl acetate 20159.72
    transcutol 22201.18
    n-heptanol 7354.95
    ethylbenzene 7159.22
    MIBK 14811.27
    2-propoxyethanol 9670.23
    tert-butanol 18924.49
    MTBE 27819.52
    2-butoxyethanol 8296.52
    propionic acid 8443.73
    o-xylene 7696.28
    formic acid 916.33
    diethyl ether 27629.26
    m-xylene 7207.63
    p-xylene 10842.02
    chlorobenzene 13921.68
    dimethyl carbonate 3240.51
    n-octane 4808.35
    formamide 1595.91
    cyclopentanone 25538.64
    2-pentanone 22815.89
    anisole 7457.14
    cyclopentyl methyl ether 24463.64
    gamma-butyrolactone 20508.52
    1-methoxy-2-propanol 9210.68
    pyridine 18052.61
    3-pentanone 16502.14
    furfural 11906.63
    n-dodecane 2009.99
    diethylene glycol 3010.14
    diisopropyl ether 13578.12
    tert-amyl alcohol 18833.24
    acetylacetone 18922.19
    n-hexadecane 2431.54
    acetophenone 7783.12
    methyl propionate 12420.75
    isopentyl acetate 24688.71
    trichloroethylene 37607.01
    n-nonanol 7331.53
    cyclohexanol 24250.49
    benzyl alcohol 4908.92
    2-ethylhexanol 12764.44
    isooctanol 7200.67
    dipropyl ether 24226.06
    1,2-dichlorobenzene 12231.37
    ethyl lactate 4032.72
    propylene carbonate 14041.28
    n-methylformamide 5097.76
    2-pentanol 15262.79
    n-pentane 11468.24
    1-propoxy-2-propanol 12274.01
    1-methoxy-2-propyl acetate 12487.25
    2-(2-methoxypropoxy) propanol 4653.81
    mesitylene 5739.25
    ε-caprolactone 29015.48
    p-cymene 6287.49
    epichlorohydrin 22150.54
    1,1,1-trichloroethane 35051.07
    2-aminoethanol 1815.01
    morpholine-4-carbaldehyde 11740.58
    sulfolane 19824.4
    2,2,4-trimethylpentane 4906.76
    2-methyltetrahydrofuran 31732.05
    n-hexyl acetate 21944.94
    isooctane 3548.08
    2-(2-butoxyethoxy)ethanol 7257.14
    sec-butyl acetate 15706.14
    tert-butyl acetate 20580.1
    decalin 8028.15
    glycerin 1252.08
    diglyme 16622.72
    acrylic acid 4670.26
    isopropyl myristate 7450.12
    n-butyric acid 21687.01
    acetyl acetate 13055.78
    di(2-ethylhexyl) phthalate 3241.7
    ethyl propionate 15570.94
    nitromethane 13611.49
    1,2-diethoxyethane 20148.83
    benzonitrile 9741.2
    trioctyl phosphate 3423.9
    1-bromopropane 27812.27
    gamma-valerolactone 25959.69
    n-decanol 4819.71
    triethyl phosphate 5440.8
    4-methyl-2-pentanol 8667.99
    propionitrile 11130.36
    vinylene carbonate 10097.96
    1,1,2-trichlorotrifluoroethane 11324.49
    DMS 7827.29
    cumene 5085.16
    2-octanol 7367.84
    2-hexanone 16982.72
    octyl acetate 8270.28
    limonene 13192.75
    1,2-dimethoxyethane 18669.36
    ethyl orthosilicate 6149.67
    tributyl phosphate 4964.09
    diacetone alcohol 11716.31
    N,N-dimethylaniline 5609.82
    acrylonitrile 8336.97
    aniline 8156.25
    1,3-propanediol 4703.07
    bromobenzene 17347.02
    dibromomethane 31597.96
    1,1,2,2-tetrachloroethane 35398.91
    2-methyl-cyclohexyl acetate 10547.16
    tetrabutyl urea 6282.35
    diisobutyl methanol 8422.72
    2-phenylethanol 5199.82
    styrene 8478.93
    dioctyl adipate 7669.17
    dimethyl sulfate 4306.87
    ethyl butyrate 21021.1
    methyl lactate 3402.67
    butyl lactate 8870.7
    diethyl carbonate 9492.84
    propanediol butyl ether 5693.37
    triethyl orthoformate 12749.01
    p-tert-butyltoluene 5591.83
    methyl 4-tert-butylbenzoate 6442.79
    morpholine 24230.5
    tert-butylamine 16557.88
    n-dodecanol 3622.28
    dimethoxymethane 9002.58
    ethylene carbonate 12259.99
    cyrene 3228.56
    2-ethoxyethyl acetate 14118.86
    2-ethylhexyl acetate 20431.58
    1,2,4-trichlorobenzene 11899.84
    4-methylpyridine 20185.76
    dibutyl ether 25598.46
    2,6-dimethyl-4-heptanol 8422.72
    DEF 19680.44
    dimethyl isosorbide 7636.41
    tetrachloroethylene 24183.28
    eugenol 4499.23
    triacetin 10526.15
    span 80 6057.65
    1,4-butanediol 1869.16
    1,1-dichloroethane 32294.1
    2-methyl-1-pentanol 9997.73
    methyl formate 3806.14
    2-methyl-1-butanol 14537.08
    n-decane 4637.6
    butyronitrile 17464.55
    3,7-dimethyl-1-octanol 9473.34
    1-chlorooctane 11740.27
    1-chlorotetradecane 3756.82
    n-nonane 5676.01
    undecane 2802.4
    tert-butylcyclohexane 6462.24
    cyclooctane 9907.34
    cyclopentanol 16223.71
    tetrahydropyran 44258.6
    tert-amyl methyl ether 18486.72
    2,5,8-trioxanonane 7096.18
    1-hexene 22331.91
    2-isopropoxyethanol 6442.66
    2,2,2-trifluoroethanol 2594.83
    methyl butyrate 21362.79

    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