1-(1-Ethoxybutoxy)pentane

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  • Identifiers

    CAS number
    3658-92-2

    Molecular formula
    C11H24O2

    SMILES
    CCCCCOC(CCC)OCC

  • Odor profile

    Green 94.7%
    Cognac 74.42%
    Alcoholic 73.9%
    Ethereal 72.63%
    Fermented 61.24%
    Apple 55.86%
    Fruity 50.48%
    Malty 41.76%
    Vegetable 40.11%
    Cocoa 38.93%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.9 (neutral)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point est.
    67.98 ˚C

  • Synonyms

    • 1-(1-ethoxybutoxy)pentane
    • 3658-92-2
    • DTXSID30698090
    • butyraldehyde amyl acetal
    • SCHEMBL10004542
    • DTXCID90648839
    • NS00124083

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21049.05
    methanol 17640.2
    isopropanol 20103.57
    water 1.42
    ethyl acetate 18578.91
    n-propanol 19783.76
    acetone 21239.31
    n-butanol 19574.56
    acetonitrile 17115.67
    DMF 10055.75
    toluene 8433.23
    isobutanol 17079.51
    1,4-dioxane 20385.51
    methyl acetate 11289.5
    THF 20480.44
    2-butanone 15404.74
    n-pentanol 14241.22
    sec-butanol 20744.67
    n-hexane 17605.67
    ethylene glycol 1453.03
    NMP 8843.82
    cyclohexane 23641.77
    DMSO 13717.9
    n-butyl acetate 23239.77
    n-octanol 7762.76
    chloroform 43378.66
    n-propyl acetate 14274.21
    acetic acid 13946.09
    dichloromethane 38173.06
    cyclohexanone 25969.92
    propylene glycol 2565.25
    isopropyl acetate 12166.19
    DMAc 7322.2
    2-ethoxyethanol 8375.45
    isopentanol 16413.18
    n-heptane 10749.66
    ethyl formate 9638.49
    1,2-dichloroethane 22744.06
    n-hexanol 17352.88
    2-methoxyethanol 11575.8
    isobutyl acetate 7954.05
    tetrachloromethane 10956.78
    n-pentyl acetate 11880.55
    transcutol 18403.49
    n-heptanol 6318.94
    ethylbenzene 5422.15
    MIBK 8136.78
    2-propoxyethanol 11433.23
    tert-butanol 21766.66
    MTBE 21904.78
    2-butoxyethanol 6385.6
    propionic acid 10131.36
    o-xylene 4668.21
    formic acid 2028.9
    diethyl ether 26900.07
    m-xylene 4742.35
    p-xylene 7759.99
    chlorobenzene 11314.43
    dimethyl carbonate 2130.91
    n-octane 3121.98
    formamide 2606.51
    cyclopentanone 15186.74
    2-pentanone 15407.39
    anisole 6424.54
    cyclopentyl methyl ether 15588.13
    gamma-butyrolactone 13266.11
    1-methoxy-2-propanol 8937.92
    pyridine 18406.9
    3-pentanone 10195.51
    furfural 9798.69
    n-dodecane 1445.15
    diethylene glycol 4440.64
    diisopropyl ether 8300.13
    tert-amyl alcohol 19617.16
    acetylacetone 10141.55
    n-hexadecane 1706.08
    acetophenone 5677.21
    methyl propionate 8661.23
    isopentyl acetate 16364.34
    trichloroethylene 32250.93
    n-nonanol 6102.69
    cyclohexanol 21962.54
    benzyl alcohol 5226.72
    2-ethylhexanol 12600.39
    isooctanol 5252.15
    dipropyl ether 18345.38
    1,2-dichlorobenzene 8747.0
    ethyl lactate 2867.96
    propylene carbonate 8770.74
    n-methylformamide 6283.18
    2-pentanol 16430.84
    n-pentane 11315.82
    1-propoxy-2-propanol 11287.29
    1-methoxy-2-propyl acetate 7548.27
    2-(2-methoxypropoxy) propanol 3759.29
    mesitylene 3250.0
    ε-caprolactone 18154.84
    p-cymene 4088.82
    epichlorohydrin 16167.08
    1,1,1-trichloroethane 25788.76
    2-aminoethanol 3937.82
    morpholine-4-carbaldehyde 8537.31
    sulfolane 12215.44
    2,2,4-trimethylpentane 3175.76
    2-methyltetrahydrofuran 23430.62
    n-hexyl acetate 13214.83
    isooctane 2297.81
    2-(2-butoxyethoxy)ethanol 5670.74
    sec-butyl acetate 8922.21
    tert-butyl acetate 9731.37
    decalin 5050.57
    glycerin 2329.36
    diglyme 11124.69
    acrylic acid 6040.02
    isopropyl myristate 3992.9
    n-butyric acid 20401.53
    acetyl acetate 8536.3
    di(2-ethylhexyl) phthalate 2336.17
    ethyl propionate 9818.8
    nitromethane 14519.01
    1,2-diethoxyethane 14798.15
    benzonitrile 10441.53
    trioctyl phosphate 2131.47
    1-bromopropane 24357.55
    gamma-valerolactone 15329.96
    n-decanol 3978.21
    triethyl phosphate 3153.56
    4-methyl-2-pentanol 6845.33
    propionitrile 14858.45
    vinylene carbonate 7722.95
    1,1,2-trichlorotrifluoroethane 10874.1
    DMS 4439.9
    cumene 3483.63
    2-octanol 5814.34
    2-hexanone 13771.13
    octyl acetate 4633.18
    limonene 8180.44
    1,2-dimethoxyethane 18343.52
    ethyl orthosilicate 3619.88
    tributyl phosphate 3006.52
    diacetone alcohol 6490.08
    N,N-dimethylaniline 4270.94
    acrylonitrile 11833.72
    aniline 8056.3
    1,3-propanediol 7224.4
    bromobenzene 13265.59
    dibromomethane 32280.42
    1,1,2,2-tetrachloroethane 28844.98
    2-methyl-cyclohexyl acetate 6173.28
    tetrabutyl urea 3643.35
    diisobutyl methanol 5913.33
    2-phenylethanol 5435.88
    styrene 7400.8
    dioctyl adipate 4480.62
    dimethyl sulfate 2654.1
    ethyl butyrate 12610.68
    methyl lactate 2479.98
    butyl lactate 5313.76
    diethyl carbonate 6316.13
    propanediol butyl ether 5044.44
    triethyl orthoformate 7676.82
    p-tert-butyltoluene 3650.21
    methyl 4-tert-butylbenzoate 3736.45
    morpholine 24932.88
    tert-butylamine 18744.44
    n-dodecanol 2959.28
    dimethoxymethane 7235.19
    ethylene carbonate 8495.33
    cyrene 2438.43
    2-ethoxyethyl acetate 8095.8
    2-ethylhexyl acetate 13446.69
    1,2,4-trichlorobenzene 8747.1
    4-methylpyridine 18664.46
    dibutyl ether 16883.47
    2,6-dimethyl-4-heptanol 5913.33
    DEF 13745.59
    dimethyl isosorbide 5134.77
    tetrachloroethylene 21027.69
    eugenol 3210.91
    triacetin 5432.11
    span 80 4573.38
    1,4-butanediol 3215.12
    1,1-dichloroethane 27453.31
    2-methyl-1-pentanol 11719.62
    methyl formate 4460.7
    2-methyl-1-butanol 16722.34
    n-decane 3201.47
    butyronitrile 21143.6
    3,7-dimethyl-1-octanol 7120.51
    1-chlorooctane 7567.31
    1-chlorotetradecane 2377.74
    n-nonane 3886.97
    undecane 2001.49
    tert-butylcyclohexane 4124.38
    cyclooctane 5704.56
    cyclopentanol 15153.15
    tetrahydropyran 36852.91
    tert-amyl methyl ether 13455.12
    2,5,8-trioxanonane 5702.04
    1-hexene 27236.0
    2-isopropoxyethanol 6491.94
    2,2,2-trifluoroethanol 2784.37
    methyl butyrate 15009.83

    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