1-(1-Pentoxyethoxy)hexane

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  • Identifiers

    Molecular formula
    C13H28O2

    SMILES
    CCCCCCOC(C)OCCCCC

  • Odor profile

    Green 97.7%
    Cognac 71.39%
    Alcoholic 65.32%
    Apple 59.86%
    Vegetable 57.1%
    Ethereal 56.37%
    Oily 48.59%
    Fermented 44.71%
    Herbal 40.62%
    Leafy 39.11%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point est.
    95.92 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8344.44
    methanol 6163.88
    isopropanol 8394.36
    water 0.3
    ethyl acetate 12964.4
    n-propanol 8102.15
    acetone 12276.26
    n-butanol 8962.17
    acetonitrile 7479.37
    DMF 5457.53
    toluene 5314.69
    isobutanol 7286.04
    1,4-dioxane 12032.04
    methyl acetate 7476.16
    THF 14487.23
    2-butanone 9887.9
    n-pentanol 6183.0
    sec-butanol 9023.69
    n-hexane 9638.76
    ethylene glycol 443.42
    NMP 5973.24
    cyclohexane 15016.51
    DMSO 8449.2
    n-butyl acetate 13729.84
    n-octanol 3293.72
    chloroform 21464.92
    n-propyl acetate 9461.36
    acetic acid 5094.9
    dichloromethane 19761.96
    cyclohexanone 17210.11
    propylene glycol 887.0
    isopropyl acetate 9231.18
    DMAc 5025.55
    2-ethoxyethanol 4745.73
    isopentanol 8756.42
    n-heptane 5737.57
    ethyl formate 5000.54
    1,2-dichloroethane 13883.97
    n-hexanol 7429.28
    2-methoxyethanol 5884.49
    isobutyl acetate 5510.06
    tetrachloromethane 5932.06
    n-pentyl acetate 7897.51
    transcutol 12811.43
    n-heptanol 3043.86
    ethylbenzene 3186.8
    MIBK 6211.98
    2-propoxyethanol 6290.76
    tert-butanol 10759.39
    MTBE 14720.4
    2-butoxyethanol 3873.24
    propionic acid 4816.05
    o-xylene 3319.35
    formic acid 686.96
    diethyl ether 17785.23
    m-xylene 3141.97
    p-xylene 4454.32
    chlorobenzene 6365.24
    dimethyl carbonate 1347.59
    n-octane 1572.3
    formamide 1109.05
    cyclopentanone 10738.52
    2-pentanone 10312.35
    anisole 3855.15
    cyclopentyl methyl ether 11894.6
    gamma-butyrolactone 9038.7
    1-methoxy-2-propanol 5175.45
    pyridine 10372.44
    3-pentanone 7631.95
    furfural 6124.41
    n-dodecane 679.73
    diethylene glycol 2197.98
    diisopropyl ether 6078.46
    tert-amyl alcohol 10132.03
    acetylacetone 7544.5
    n-hexadecane 821.8
    acetophenone 3650.01
    methyl propionate 5939.79
    isopentyl acetate 10818.65
    trichloroethylene 18092.28
    n-nonanol 2824.29
    cyclohexanol 12121.42
    benzyl alcohol 2626.17
    2-ethylhexanol 6490.22
    isooctanol 2777.25
    dipropyl ether 11853.79
    1,2-dichlorobenzene 5391.1
    ethyl lactate 1950.83
    propylene carbonate 5790.2
    n-methylformamide 2966.52
    2-pentanol 8152.4
    n-pentane 6276.17
    1-propoxy-2-propanol 6905.58
    1-methoxy-2-propyl acetate 5955.93
    2-(2-methoxypropoxy) propanol 2377.18
    mesitylene 2386.47
    ε-caprolactone 12834.47
    p-cymene 2485.05
    epichlorohydrin 10671.84
    1,1,1-trichloroethane 16146.38
    2-aminoethanol 1432.91
    morpholine-4-carbaldehyde 5803.62
    sulfolane 8941.78
    2,2,4-trimethylpentane 1923.4
    2-methyltetrahydrofuran 17042.42
    n-hexyl acetate 8323.46
    isooctane 1351.83
    2-(2-butoxyethoxy)ethanol 3591.91
    sec-butyl acetate 6784.73
    tert-butyl acetate 8551.57
    decalin 3248.59
    glycerin 936.31
    diglyme 7958.54
    acrylic acid 2764.11
    isopropyl myristate 2535.7
    n-butyric acid 10550.12
    acetyl acetate 6104.18
    di(2-ethylhexyl) phthalate 1430.55
    ethyl propionate 7439.79
    nitromethane 7320.06
    1,2-diethoxyethane 11147.25
    benzonitrile 4990.41
    trioctyl phosphate 1306.69
    1-bromopropane 14678.29
    gamma-valerolactone 11027.2
    n-decanol 1845.57
    triethyl phosphate 2542.49
    4-methyl-2-pentanol 4002.69
    propionitrile 7188.73
    vinylene carbonate 4640.22
    1,1,2-trichlorotrifluoroethane 6428.89
    DMS 3226.29
    cumene 2143.57
    2-octanol 2799.28
    2-hexanone 8355.67
    octyl acetate 2797.38
    limonene 5340.28
    1,2-dimethoxyethane 10928.1
    ethyl orthosilicate 3006.46
    tributyl phosphate 1962.69
    diacetone alcohol 5087.84
    N,N-dimethylaniline 2524.99
    acrylonitrile 5542.03
    aniline 4769.63
    1,3-propanediol 2989.07
    bromobenzene 7943.95
    dibromomethane 16836.93
    1,1,2,2-tetrachloroethane 16842.95
    2-methyl-cyclohexyl acetate 4664.04
    tetrabutyl urea 2376.41
    diisobutyl methanol 3585.23
    2-phenylethanol 2906.23
    styrene 4118.15
    dioctyl adipate 2953.33
    dimethyl sulfate 1880.53
    ethyl butyrate 9548.7
    methyl lactate 1532.76
    butyl lactate 3536.35
    diethyl carbonate 4598.8
    propanediol butyl ether 2592.58
    triethyl orthoformate 5945.36
    p-tert-butyltoluene 2318.31
    methyl 4-tert-butylbenzoate 2603.29
    morpholine 14700.02
    tert-butylamine 9826.49
    n-dodecanol 1386.34
    dimethoxymethane 4569.55
    ethylene carbonate 5377.65
    cyrene 1641.63
    2-ethoxyethyl acetate 6054.77
    2-ethylhexyl acetate 8968.76
    1,2,4-trichlorobenzene 5413.55
    4-methylpyridine 10515.93
    dibutyl ether 10657.58
    2,6-dimethyl-4-heptanol 3585.23
    DEF 9567.42
    dimethyl isosorbide 3814.84
    tetrachloroethylene 11915.83
    eugenol 2059.47
    triacetin 4045.4
    span 80 2839.67
    1,4-butanediol 1312.23
    1,1-dichloroethane 15592.29
    2-methyl-1-pentanol 5624.84
    methyl formate 1987.62
    2-methyl-1-butanol 7921.14
    n-decane 1488.91
    butyronitrile 10027.34
    3,7-dimethyl-1-octanol 3687.05
    1-chlorooctane 4081.19
    1-chlorotetradecane 1278.46
    n-nonane 1807.45
    undecane 938.41
    tert-butylcyclohexane 2560.89
    cyclooctane 3551.13
    cyclopentanol 8353.81
    tetrahydropyran 24229.05
    tert-amyl methyl ether 9556.7
    2,5,8-trioxanonane 3855.03
    1-hexene 14609.19
    2-isopropoxyethanol 4096.8
    2,2,2-trifluoroethanol 1338.87
    methyl butyrate 10491.16

    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