1-Isopentyloxy-1-propoxyethane

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  • Identifiers

    CAS number
    238757-63-6

    Molecular formula
    C10H22O2

    SMILES
    CCCOC(C)OCCC(C)C

  • Odor profile

    Fragrance
    Green 97.43%
    Ethereal 83.98%
    Alcoholic 83.0%
    Cognac 76.01%
    Fermented 65.13%
    Malty 54.41%
    Cocoa 54.3%
    Vegetable 50.1%
    Fruity 43.49%
    Nutty 40.55%

     

    Flavor
    Fruity 69.2%
    Green 59.83%
    Ethereal 36.62%
    Tropical 32.42%
    Vegetable 30.79%
    Sweet 30.48%
    Earthy 30.31%
    Pineapple 30.07%
    Ether 28.16%
    Fruit 27.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.25 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point

    • 53.85 ˚C est.

  • Synonyms

    • 3-methyl-1-(1-propoxyethoxy)butane
    • 1-ISOPENTYLOXY-1-PROPOXYETHANE
    • 238757-63-6
    • W69ZWS9BSA
    • DTXSID90699765
    • Butane, 3-methyl-1-(1-propoxyethoxy)-
    • ACETALDEHYDE ISOPENTYL PROPYL ACETAL
    • NS00126072

  • Applications

    1-Isopentyloxy-1-propoxyethane (CAS 238757-63-6) is primarily used as a solvent and co-solvent in industrial formulations, particularly in coatings, inks, and adhesives, where it aids solubility and component blending. It also serves as an intermediate in the synthesis of organic compounds and in the production of polymers and specialty plastics. Due to its moderate solvency, the compound may be considered a processing solvent in cosmetic or fragrance-related formulations, depending on product requirements and local regulations. Additionally, it can be used in cleaning formulations as a solvent constituent. Specific applications depend on regional regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3917.14
    methanol 3008.62
    isopropanol 3678.05
    water 2.0
    ethyl acetate 2375.5
    n-propanol 3220.73
    acetone 2252.83
    n-butanol 3404.26
    acetonitrile 1681.91
    DMF 1207.91
    toluene 1129.52
    isobutanol 2741.95
    1,4-dioxane 3766.22
    methyl acetate 1571.59
    THF 4369.15
    2-butanone 1937.9
    n-pentanol 2559.09
    sec-butanol 3815.37
    n-hexane 2640.65
    ethylene glycol 354.55
    NMP 1511.77
    cyclohexane 3413.19
    DMSO 1678.22
    n-butyl acetate 3135.8
    n-octanol 1649.81
    chloroform 7623.23
    n-propyl acetate 1675.15
    acetic acid 2688.7
    dichloromethane 4999.9
    cyclohexanone 3733.58
    propylene glycol 775.93
    isopropyl acetate 1716.71
    DMAc 1278.95
    2-ethoxyethanol 1765.98
    isopentanol 3066.17
    n-heptane 1955.53
    ethyl formate 1282.07
    1,2-dichloroethane 2421.74
    n-hexanol 3805.95
    2-methoxyethanol 2333.28
    isobutyl acetate 1208.67
    tetrachloromethane 1770.72
    n-pentyl acetate 1750.38
    transcutol 4414.31
    n-heptanol 1486.35
    ethylbenzene 825.0
    MIBK 1128.86
    2-propoxyethanol 2646.27
    tert-butanol 4410.38
    MTBE 3597.72
    2-butoxyethanol 1614.89
    propionic acid 1934.47
    o-xylene 813.18
    formic acid 473.23
    diethyl ether 3188.17
    m-xylene 780.31
    p-xylene 1283.51
    chlorobenzene 1508.46
    dimethyl carbonate 290.77
    n-octane 537.07
    formamide 437.76
    cyclopentanone 2292.59
    2-pentanone 1756.87
    anisole 1021.83
    cyclopentyl methyl ether 2580.68
    gamma-butyrolactone 2146.88
    1-methoxy-2-propanol 1905.83
    pyridine 2363.05
    3-pentanone 1239.28
    furfural 1788.58
    n-dodecane 317.54
    diethylene glycol 1207.13
    diisopropyl ether 1219.94
    tert-amyl alcohol 4018.85
    acetylacetone 1355.22
    n-hexadecane 357.47
    acetophenone 942.88
    methyl propionate 1095.19
    isopentyl acetate 2590.39
    trichloroethylene 4151.2
    n-nonanol 1391.8
    cyclohexanol 4198.46
    benzyl alcohol 964.18
    2-ethylhexanol 2644.18
    isooctanol 1188.24
    dipropyl ether 2748.84
    1,2-dichlorobenzene 1319.95
    ethyl lactate 624.28
    propylene carbonate 1608.07
    n-methylformamide 720.78
    2-pentanol 2826.64
    n-pentane 1702.31
    1-propoxy-2-propanol 2529.31
    1-methoxy-2-propyl acetate 1501.21
    2-(2-methoxypropoxy) propanol 1075.46
    mesitylene 594.42
    ε-caprolactone 3103.88
    p-cymene 774.61
    epichlorohydrin 2514.42
    1,1,1-trichloroethane 3603.62
    2-aminoethanol 924.5
    morpholine-4-carbaldehyde 1694.94
    sulfolane 2112.78
    2,2,4-trimethylpentane 627.02
    2-methyltetrahydrofuran 4366.19
    n-hexyl acetate 2427.8
    isooctane 432.49
    2-(2-butoxyethoxy)ethanol 1554.59
    sec-butyl acetate 1287.0
    tert-butyl acetate 1588.74
    decalin 879.43
    glycerin 747.1
    diglyme 2569.64
    acrylic acid 1169.03
    isopropyl myristate 871.66
    n-butyric acid 3612.58
    acetyl acetate 1362.26
    di(2-ethylhexyl) phthalate 606.66
    ethyl propionate 1261.26
    nitromethane 1881.76
    1,2-diethoxyethane 2355.08
    benzonitrile 1487.19
    trioctyl phosphate 535.71
    1-bromopropane 2792.4
    gamma-valerolactone 2653.41
    n-decanol 963.38
    triethyl phosphate 680.9
    4-methyl-2-pentanol 1338.65
    propionitrile 1729.67
    vinylene carbonate 1316.79
    1,1,2-trichlorotrifluoroethane 2137.74
    DMS 854.07
    cumene 637.33
    2-octanol 1234.72
    2-hexanone 1801.97
    octyl acetate 1041.03
    limonene 1528.61
    1,2-dimethoxyethane 3104.7
    ethyl orthosilicate 789.84
    tributyl phosphate 708.37
    diacetone alcohol 1338.44
    N,N-dimethylaniline 747.98
    acrylonitrile 1361.51
    aniline 1266.24
    1,3-propanediol 1649.25
    bromobenzene 1685.68
    dibromomethane 4248.82
    1,1,2,2-tetrachloroethane 4197.22
    2-methyl-cyclohexyl acetate 1358.29
    tetrabutyl urea 779.6
    diisobutyl methanol 1200.01
    2-phenylethanol 1129.6
    styrene 977.0
    dioctyl adipate 1040.6
    dimethyl sulfate 429.47
    ethyl butyrate 1844.43
    methyl lactate 543.32
    butyl lactate 1150.48
    diethyl carbonate 1022.6
    propanediol butyl ether 1397.61
    triethyl orthoformate 1430.0
    p-tert-butyltoluene 756.02
    methyl 4-tert-butylbenzoate 896.94
    morpholine 4384.05
    tert-butylamine 3771.67
    n-dodecanol 740.1
    dimethoxymethane 959.66
    ethylene carbonate 1388.3
    cyrene 730.48
    2-ethoxyethyl acetate 1370.67
    2-ethylhexyl acetate 2178.11
    1,2,4-trichlorobenzene 1504.2
    4-methylpyridine 2410.58
    dibutyl ether 2540.06
    2,6-dimethyl-4-heptanol 1200.01
    DEF 1660.84
    dimethyl isosorbide 1486.62
    tetrachloroethylene 2953.36
    eugenol 788.4
    triacetin 1350.64
    span 80 1385.99
    1,4-butanediol 754.29
    1,1-dichloroethane 3530.03
    2-methyl-1-pentanol 2219.46
    methyl formate 520.2
    2-methyl-1-butanol 2827.31
    n-decane 600.88
    butyronitrile 2561.97
    3,7-dimethyl-1-octanol 1559.49
    1-chlorooctane 1329.34
    1-chlorotetradecane 508.32
    n-nonane 690.77
    undecane 408.91
    tert-butylcyclohexane 809.49
    cyclooctane 895.33
    cyclopentanol 2958.66
    tetrahydropyran 5741.12
    tert-amyl methyl ether 2319.25
    2,5,8-trioxanonane 1523.4
    1-hexene 3683.32
    2-isopropoxyethanol 1466.39
    2,2,2-trifluoroethanol 588.58
    methyl butyrate 1857.95

    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