1-Ethoxypentane

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  • Identifiers

    CAS number
    17952-11-3

    Molecular formula
    C7H16O

    SMILES
    CCCCCOCC

  • Odor profile

    Ethereal 78.87%
    Fruity 72.0%
    Sweet 65.32%
    Alcoholic 61.6%
    Fermented 54.55%
    Green 53.17%
    Winey 46.16%
    Solvent 45.67%
    Cognac 44.51%
    Apple 38.42%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.82 (neutral)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    119°C

    Flash point est.
    11.66 ˚C

  • Synonyms

    • 1-Ethoxypentane
    • Pentane, 1-ethoxy-
    • 17952-11-3
    • Ether, ethyl pentyl
    • Ethyl pentyl ether
    • Ethyl amyl ether
    • Amyl ethyl ether
    • 1-ethoxy-pentane
    • NSC-152102
    • Butane, ethoxymethyl-
    • EINECS 241-877-1
    • BRN 1731551
    • 1-Ethoxypentane #
    • ethyl 1-pentyl ether
    • BG9HT4KHP4
    • 3-01-00-01602 (Beilstein Handbook Reference)
    • n-C5H11OC2H5
    • SCHEMBL127880
    • DTXSID90170822
    • NSC152102
    • STL453700
    • AKOS006275946
    • NSC 152102
    • NS00025909
    • Q3591983

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9485.73
    methanol 8449.87
    isopropanol 7730.4
    water 1.9
    ethyl acetate 4069.41
    n-propanol 7993.41
    acetone 4041.78
    n-butanol 8156.75
    acetonitrile 4080.15
    DMF 2370.14
    toluene 2202.34
    isobutanol 5277.33
    1,4-dioxane 7569.03
    methyl acetate 2749.04
    THF 7899.47
    2-butanone 3409.37
    n-pentanol 5006.97
    sec-butanol 6473.44
    n-hexane 5131.65
    ethylene glycol 1114.66
    NMP 1744.11
    cyclohexane 7050.99
    DMSO 3224.57
    n-butyl acetate 5168.63
    n-octanol 2092.88
    chloroform 13247.12
    n-propyl acetate 2569.28
    acetic acid 4566.32
    dichloromethane 9273.38
    cyclohexanone 5152.38
    propylene glycol 1711.73
    isopropyl acetate 2117.93
    DMAc 1483.96
    2-ethoxyethanol 3827.95
    isopentanol 5438.45
    n-heptane 4942.11
    ethyl formate 2346.49
    1,2-dichloroethane 5006.87
    n-hexanol 7797.84
    2-methoxyethanol 5401.65
    isobutyl acetate 1458.77
    tetrachloromethane 3572.86
    n-pentyl acetate 2117.78
    transcutol 7266.16
    n-heptanol 2230.54
    ethylbenzene 1220.82
    MIBK 1461.6
    2-propoxyethanol 5846.86
    tert-butanol 7885.86
    MTBE 5321.22
    2-butoxyethanol 2486.28
    propionic acid 3391.97
    o-xylene 1041.2
    formic acid 906.76
    diethyl ether 7819.66
    m-xylene 1095.25
    p-xylene 1383.22
    chlorobenzene 2575.88
    dimethyl carbonate 362.38
    n-octane 955.65
    formamide 917.32
    cyclopentanone 3315.27
    2-pentanone 3022.43
    anisole 1604.83
    cyclopentyl methyl ether 4462.5
    gamma-butyrolactone 2900.03
    1-methoxy-2-propanol 3653.39
    pyridine 5466.75
    3-pentanone 1876.21
    furfural 2672.97
    n-dodecane 376.33
    diethylene glycol 2833.78
    diisopropyl ether 1664.64
    tert-amyl alcohol 5742.94
    acetylacetone 1677.54
    n-hexadecane 417.86
    acetophenone 1086.73
    methyl propionate 1855.24
    isopentyl acetate 3350.47
    trichloroethylene 7062.28
    n-nonanol 1717.89
    cyclohexanol 6439.16
    benzyl alcohol 1631.76
    2-ethylhexanol 4742.29
    isooctanol 1623.17
    dipropyl ether 6537.44
    1,2-dichlorobenzene 1887.08
    ethyl lactate 814.18
    propylene carbonate 1827.08
    n-methylformamide 1734.1
    2-pentanol 5094.22
    n-pentane 4318.99
    1-propoxy-2-propanol 4850.56
    1-methoxy-2-propyl acetate 1966.35
    2-(2-methoxypropoxy) propanol 1267.29
    mesitylene 655.1
    ε-caprolactone 4090.7
    p-cymene 1049.11
    epichlorohydrin 4052.64
    1,1,1-trichloroethane 5441.57
    2-aminoethanol 2730.8
    morpholine-4-carbaldehyde 2652.14
    sulfolane 2245.0
    2,2,4-trimethylpentane 826.33
    2-methyltetrahydrofuran 8068.37
    n-hexyl acetate 2445.33
    isooctane 633.18
    2-(2-butoxyethoxy)ethanol 2109.19
    sec-butyl acetate 1569.49
    tert-butyl acetate 1695.04
    decalin 1087.27
    glycerin 1574.29
    diglyme 3852.41
    acrylic acid 2091.1
    isopropyl myristate 798.51
    n-butyric acid 6246.47
    acetyl acetate 1642.13
    di(2-ethylhexyl) phthalate 587.99
    ethyl propionate 1782.45
    nitromethane 3305.9
    1,2-diethoxyethane 4444.69
    benzonitrile 2458.39
    trioctyl phosphate 473.26
    1-bromopropane 6829.65
    gamma-valerolactone 3886.23
    n-decanol 1143.91
    triethyl phosphate 799.09
    4-methyl-2-pentanol 1989.43
    propionitrile 4334.38
    vinylene carbonate 1671.05
    1,1,2-trichlorotrifluoroethane 3207.28
    DMS 816.55
    cumene 716.7
    2-octanol 1522.9
    2-hexanone 2638.78
    octyl acetate 957.52
    limonene 2172.47
    1,2-dimethoxyethane 5495.72
    ethyl orthosilicate 988.54
    tributyl phosphate 652.47
    diacetone alcohol 1553.47
    N,N-dimethylaniline 943.79
    acrylonitrile 3330.32
    aniline 2624.0
    1,3-propanediol 3726.47
    bromobenzene 2739.07
    dibromomethane 8186.64
    1,1,2,2-tetrachloroethane 6364.36
    2-methyl-cyclohexyl acetate 1556.22
    tetrabutyl urea 758.53
    diisobutyl methanol 1939.53
    2-phenylethanol 1956.43
    styrene 1685.69
    dioctyl adipate 959.69
    dimethyl sulfate 404.68
    ethyl butyrate 3205.3
    methyl lactate 701.0
    butyl lactate 1199.63
    diethyl carbonate 1496.09
    propanediol butyl ether 1708.81
    triethyl orthoformate 2153.85
    p-tert-butyltoluene 981.85
    methyl 4-tert-butylbenzoate 814.19
    morpholine 9462.61
    tert-butylamine 6631.52
    n-dodecanol 847.08
    dimethoxymethane 1881.51
    ethylene carbonate 1787.63
    cyrene 706.82
    2-ethoxyethyl acetate 1727.82
    2-ethylhexyl acetate 2802.2
    1,2,4-trichlorobenzene 1922.54
    4-methylpyridine 4504.87
    dibutyl ether 3853.79
    2,6-dimethyl-4-heptanol 1939.53
    DEF 2796.35
    dimethyl isosorbide 1503.62
    tetrachloroethylene 5113.71
    eugenol 828.28
    triacetin 1235.3
    span 80 1708.91
    1,4-butanediol 1565.94
    1,1-dichloroethane 6596.81
    2-methyl-1-pentanol 3464.01
    methyl formate 983.3
    2-methyl-1-butanol 4843.96
    n-decane 831.22
    butyronitrile 5752.63
    3,7-dimethyl-1-octanol 1988.71
    1-chlorooctane 1604.45
    1-chlorotetradecane 520.31
    n-nonane 1026.29
    undecane 512.76
    tert-butylcyclohexane 950.15
    cyclooctane 1545.0
    cyclopentanol 5255.32
    tetrahydropyran 12036.99
    tert-amyl methyl ether 3217.0
    2,5,8-trioxanonane 2027.37
    1-hexene 7865.29
    2-isopropoxyethanol 2517.26
    2,2,2-trifluoroethanol 784.12
    methyl butyrate 2621.44

    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

Botanical

Name CAS Botanical Proportion
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 1.13%