Pentane, 2-ethoxy-

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  • Identifiers

    CAS number
    1817-89-6

    Molecular formula
    C7H16O

    SMILES
    CCCC(C)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.45%
    Green 74.96%
    Ethereal 71.94%
    Alcoholic 55.11%
    Fresh 47.19%
    Fermented 46.22%
    Sweet 42.78%
    Floral 42.75%
    Winey 42.48%
    Cognac 42.04%

     

    Flavor
    Green 47.48%
    Fruity 44.2%
    Ethereal 37.63%
    Herbal 32.12%
    Sweet 29.71%
    Earthy 28.98%
    Vegetable 25.27%
    Ether 24.3%
    Fusel 24.13%
    Fermented 23.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.43 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • -1.46 ˚C est.

  • Synonyms

    • 2-Ethoxypentane
    • Pentane, 2-ethoxy-
    • sec-Amyl ethyl ether
    • DTXSID40883753
    • RefChem:171423
    • DTXCID40927560
    • XFKPOLRDQWCGPV-UHFFFAOYSA-N
    • 1817-89-6
    • Ethyl 1-methylbutyl ether
    • MFCD00043661
    • Propylather
    • SCHEMBL330947
    • SCHEMBL3292481
    • SCHEMBL3315434
    • SCHEMBL3315438
    • SCHEMBL3317347
    • SCHEMBL7803128
    • SCHEMBL8730044
    • SCHEMBL27900397
    • AKOS006272613
    • 1817-89-6

  • Applications

    Pentane, 2-ethoxy- (CAS 1817-89-6) is primarily used as an industrial solvent and reaction medium, offering moderate polarity suitable for dissolving organic constituents in coatings, inks, and adhesives. It also serves as an intermediate and reaction medium in organic synthesis, enabling the preparation of other ethers and related chemicals. Additionally, it can be employed in cleaning and degreasing formulations in industrial manufacturing and electronics assembly, and its use may be considered as a processing or extraction solvent depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5011.19
    methanol 4353.95
    isopropanol 3788.66
    water 2.48
    ethyl acetate 2282.8
    n-propanol 4017.24
    acetone 2022.81
    n-butanol 4145.3
    acetonitrile 2462.85
    DMF 1258.47
    toluene 1669.15
    isobutanol 2923.77
    1,4-dioxane 4702.82
    methyl acetate 1801.7
    THF 5648.33
    2-butanone 1990.41
    n-pentanol 2576.13
    sec-butanol 3715.45
    n-hexane 3736.91
    ethylene glycol 593.3
    NMP 1628.22
    cyclohexane 4844.04
    DMSO 1806.03
    n-butyl acetate 3463.45
    n-octanol 1966.77
    chloroform 8240.1
    n-propyl acetate 1542.64
    acetic acid 2477.79
    dichloromethane 6601.8
    cyclohexanone 3615.93
    propylene glycol 1004.68
    isopropyl acetate 1276.89
    DMAc 1112.48
    2-ethoxyethanol 1905.32
    isopentanol 2898.26
    n-heptane 4003.67
    ethyl formate 1360.5
    1,2-dichloroethane 3140.2
    n-hexanol 5457.46
    2-methoxyethanol 2743.04
    isobutyl acetate 913.48
    tetrachloromethane 2468.11
    n-pentyl acetate 1557.98
    transcutol 4120.35
    n-heptanol 1747.34
    ethylbenzene 938.15
    MIBK 988.37
    2-propoxyethanol 3619.28
    tert-butanol 4222.39
    MTBE 3283.07
    2-butoxyethanol 1518.91
    propionic acid 2111.42
    o-xylene 883.5
    formic acid 559.51
    diethyl ether 4430.1
    m-xylene 912.42
    p-xylene 1101.87
    chlorobenzene 1839.58
    dimethyl carbonate 271.79
    n-octane 846.58
    formamide 511.28
    cyclopentanone 2546.04
    2-pentanone 1815.46
    anisole 1169.64
    cyclopentyl methyl ether 3316.28
    gamma-butyrolactone 2283.78
    1-methoxy-2-propanol 1971.81
    pyridine 3237.37
    3-pentanone 1351.58
    furfural 1787.75
    n-dodecane 421.92
    diethylene glycol 1633.55
    diisopropyl ether 1243.21
    tert-amyl alcohol 3579.0
    acetylacetone 1086.09
    n-hexadecane 457.58
    acetophenone 809.2
    methyl propionate 1236.19
    isopentyl acetate 2400.66
    trichloroethylene 4312.39
    n-nonanol 1532.21
    cyclohexanol 4504.96
    benzyl alcohol 1023.0
    2-ethylhexanol 3450.1
    isooctanol 1284.73
    dipropyl ether 4087.92
    1,2-dichlorobenzene 1474.92
    ethyl lactate 497.28
    propylene carbonate 1350.04
    n-methylformamide 960.95
    2-pentanol 2971.0
    n-pentane 2870.96
    1-propoxy-2-propanol 2968.15
    1-methoxy-2-propyl acetate 1399.36
    2-(2-methoxypropoxy) propanol 1058.14
    mesitylene 571.49
    ε-caprolactone 2915.01
    p-cymene 988.41
    epichlorohydrin 2847.87
    1,1,1-trichloroethane 3692.37
    2-aminoethanol 1394.99
    morpholine-4-carbaldehyde 1746.91
    sulfolane 2110.65
    2,2,4-trimethylpentane 778.27
    2-methyltetrahydrofuran 5638.96
    n-hexyl acetate 2188.46
    isooctane 528.23
    2-(2-butoxyethoxy)ethanol 1492.86
    sec-butyl acetate 1007.2
    tert-butyl acetate 1147.87
    decalin 982.12
    glycerin 901.32
    diglyme 2414.77
    acrylic acid 1290.54
    isopropyl myristate 801.3
    n-butyric acid 3283.93
    acetyl acetate 1023.2
    di(2-ethylhexyl) phthalate 606.65
    ethyl propionate 1113.1
    nitromethane 1826.11
    1,2-diethoxyethane 2552.03
    benzonitrile 1618.24
    trioctyl phosphate 493.6
    1-bromopropane 4194.19
    gamma-valerolactone 2610.81
    n-decanol 1042.64
    triethyl phosphate 589.48
    4-methyl-2-pentanol 1259.18
    propionitrile 2495.83
    vinylene carbonate 1184.78
    1,1,2-trichlorotrifluoroethane 1910.93
    DMS 722.56
    cumene 637.34
    2-octanol 1393.53
    2-hexanone 1710.3
    octyl acetate 991.57
    limonene 2042.12
    1,2-dimethoxyethane 3286.62
    ethyl orthosilicate 686.56
    tributyl phosphate 622.65
    diacetone alcohol 1087.8
    N,N-dimethylaniline 774.16
    acrylonitrile 1899.08
    aniline 1606.59
    1,3-propanediol 1899.62
    bromobenzene 2118.65
    dibromomethane 5665.9
    1,1,2,2-tetrachloroethane 3838.24
    2-methyl-cyclohexyl acetate 1260.0
    tetrabutyl urea 759.29
    diisobutyl methanol 1350.0
    2-phenylethanol 1426.3
    styrene 1224.66
    dioctyl adipate 959.1
    dimethyl sulfate 334.54
    ethyl butyrate 1936.76
    methyl lactate 489.58
    butyl lactate 917.72
    diethyl carbonate 952.29
    propanediol butyl ether 1180.82
    triethyl orthoformate 1385.82
    p-tert-butyltoluene 883.37
    methyl 4-tert-butylbenzoate 792.45
    morpholine 5226.69
    tert-butylamine 3697.02
    n-dodecanol 797.66
    dimethoxymethane 1159.93
    ethylene carbonate 1241.04
    cyrene 655.46
    2-ethoxyethyl acetate 1277.15
    2-ethylhexyl acetate 2123.29
    1,2,4-trichlorobenzene 1565.56
    4-methylpyridine 2850.34
    dibutyl ether 2845.49
    2,6-dimethyl-4-heptanol 1350.0
    DEF 1756.11
    dimethyl isosorbide 1458.84
    tetrachloroethylene 2937.82
    eugenol 727.97
    triacetin 1086.39
    span 80 1356.69
    1,4-butanediol 838.01
    1,1-dichloroethane 3949.56
    2-methyl-1-pentanol 2106.04
    methyl formate 636.68
    2-methyl-1-butanol 3007.68
    n-decane 814.28
    butyronitrile 3060.63
    3,7-dimethyl-1-octanol 1720.52
    1-chlorooctane 1647.75
    1-chlorotetradecane 587.46
    n-nonane 1017.33
    undecane 540.32
    tert-butylcyclohexane 931.43
    cyclooctane 1324.35
    cyclopentanol 3722.54
    tetrahydropyran 7395.08
    tert-amyl methyl ether 2264.08
    2,5,8-trioxanonane 1598.54
    1-hexene 4836.2
    2-isopropoxyethanol 1328.36
    2,2,2-trifluoroethanol 459.78
    methyl butyrate 1556.09

    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