1-Ethoxy-2-methyl-1-isopentyloxypropane

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  • Identifiers

    CAS number
    253679-74-2

    Molecular formula
    C11H24O2

    SMILES
    CCOC(C(C)C)OCCC(C)C

  • Odor profile

    Fragrance
    Green 96.89%
    Alcoholic 82.98%
    Ethereal 81.81%
    Fermented 75.9%
    Cognac 68.26%
    Malty 66.9%
    Cocoa 65.56%
    Apple 37.05%
    Vegetable 33.06%
    Fruity 31.86%

     

    Flavor
    Fruity 73.26%
    Green 57.81%
    Tropical 35.88%
    Ethereal 30.46%
    Pineapple 28.4%
    Apple 27.29%
    Fermented 26.31%
    Oily 25.42%
    Vegetable 24.99%
    Fatty 24.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.97 (neutral)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 63.07 ˚C est.

  • Synonyms

    • 253679-74-2
    • 1-ETHOXY-2-METHYL-1-ISOPENTYLOXYPROPANE
    • AN4FF7C4N5
    • Butane, 1-(1-ethoxy-2-methylpropoxy)-3-methyl-
    • UNII-AN4FF7C4N5
    • 1-(1-ethoxy-2-methylpropoxy)-3-methylbutane
    • DTXSID90699745
    • isobutyraldehyde ethyl isoamyl acetal
    • NS00121607

  • Applications

    1-Ethoxy-2-methyl-1-isopentyloxypropane (CAS 253679-74-2) may be used as a solvent and processing aid in industrial coatings, inks, and cleaners; it can serve as an intermediate in the synthesis of specialty polymers and resins; it may act as a plasticizer for certain plastic systems; it is sometimes evaluated as a fragrance solvent or carrier in perfumery and cosmetics; and it can appear as a component in cleaning and household formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14004.98
    methanol 10809.3
    isopropanol 15565.88
    water 9.12
    ethyl acetate 15456.75
    n-propanol 13514.44
    acetone 15019.81
    n-butanol 15157.96
    acetonitrile 10756.09
    DMF 7106.07
    toluene 6737.03
    isobutanol 14281.88
    1,4-dioxane 15251.91
    methyl acetate 9914.87
    THF 15637.17
    2-butanone 12168.66
    n-pentanol 10778.03
    sec-butanol 17367.79
    n-hexane 14076.32
    ethylene glycol 1206.47
    NMP 7003.49
    cyclohexane 19377.45
    DMSO 5986.19
    n-butyl acetate 18292.76
    n-octanol 7893.97
    chloroform 33375.69
    n-propyl acetate 10946.03
    acetic acid 14248.63
    dichloromethane 21475.19
    cyclohexanone 20502.33
    propylene glycol 2308.11
    isopropyl acetate 12458.58
    DMAc 7056.16
    2-ethoxyethanol 7660.02
    isopentanol 16383.03
    n-heptane 9269.61
    ethyl formate 8004.05
    1,2-dichloroethane 13325.9
    n-hexanol 15689.5
    2-methoxyethanol 9483.25
    isobutyl acetate 7505.65
    tetrachloromethane 12036.86
    n-pentyl acetate 10180.71
    transcutol 15099.53
    n-heptanol 7200.32
    ethylbenzene 5016.35
    MIBK 8003.0
    2-propoxyethanol 9595.73
    tert-butanol 20399.37
    MTBE 23792.79
    2-butoxyethanol 7187.82
    propionic acid 9270.0
    o-xylene 5050.15
    formic acid 2521.47
    diethyl ether 18962.69
    m-xylene 4779.07
    p-xylene 7984.6
    chlorobenzene 7605.91
    dimethyl carbonate 2023.02
    n-octane 3282.68
    formamide 2396.03
    cyclopentanone 11932.45
    2-pentanone 12135.93
    anisole 4931.01
    cyclopentyl methyl ether 13520.4
    gamma-butyrolactone 10189.24
    1-methoxy-2-propanol 7596.86
    pyridine 10506.35
    3-pentanone 8694.1
    furfural 7279.53
    n-dodecane 1464.7
    diethylene glycol 3883.31
    diisopropyl ether 9342.39
    tert-amyl alcohol 20793.92
    acetylacetone 8042.32
    n-hexadecane 1690.95
    acetophenone 4618.98
    methyl propionate 6875.54
    isopentyl acetate 14721.04
    trichloroethylene 23213.21
    n-nonanol 6212.65
    cyclohexanol 19031.39
    benzyl alcohol 4179.52
    2-ethylhexanol 11916.52
    isooctanol 6164.16
    dipropyl ether 12996.05
    1,2-dichlorobenzene 6286.66
    ethyl lactate 2639.74
    propylene carbonate 7381.56
    n-methylformamide 4411.73
    2-pentanol 14663.91
    n-pentane 9285.94
    1-propoxy-2-propanol 9419.46
    1-methoxy-2-propyl acetate 6632.09
    2-(2-methoxypropoxy) propanol 3523.7
    mesitylene 3768.31
    ε-caprolactone 16545.54
    p-cymene 4113.99
    epichlorohydrin 11830.51
    1,1,1-trichloroethane 22190.57
    2-aminoethanol 3131.47
    morpholine-4-carbaldehyde 7307.34
    sulfolane 8860.79
    2,2,4-trimethylpentane 4093.42
    2-methyltetrahydrofuran 19771.1
    n-hexyl acetate 12912.18
    isooctane 2858.64
    2-(2-butoxyethoxy)ethanol 5239.65
    sec-butyl acetate 8865.88
    tert-butyl acetate 10272.67
    decalin 5277.81
    glycerin 2434.75
    diglyme 10436.63
    acrylic acid 5549.58
    isopropyl myristate 3760.99
    n-butyric acid 18856.42
    acetyl acetate 7910.14
    di(2-ethylhexyl) phthalate 2058.83
    ethyl propionate 7656.13
    nitromethane 11870.63
    1,2-diethoxyethane 11019.08
    benzonitrile 6556.79
    trioctyl phosphate 2091.61
    1-bromopropane 14927.88
    gamma-valerolactone 12849.22
    n-decanol 3918.69
    triethyl phosphate 2873.21
    4-methyl-2-pentanol 7515.04
    propionitrile 9553.67
    vinylene carbonate 6066.8
    1,1,2-trichlorotrifluoroethane 9751.67
    DMS 4033.37
    cumene 3904.09
    2-octanol 6414.2
    2-hexanone 10770.87
    octyl acetate 4440.7
    limonene 7494.57
    1,2-dimethoxyethane 14481.71
    ethyl orthosilicate 3544.03
    tributyl phosphate 2854.43
    diacetone alcohol 6990.27
    N,N-dimethylaniline 3716.56
    acrylonitrile 6970.23
    aniline 5699.66
    1,3-propanediol 6378.78
    bromobenzene 8401.87
    dibromomethane 18907.68
    1,1,2,2-tetrachloroethane 23032.16
    2-methyl-cyclohexyl acetate 6076.76
    tetrabutyl urea 3013.66
    diisobutyl methanol 5774.49
    2-phenylethanol 4700.36
    styrene 5438.21
    dioctyl adipate 3715.76
    dimethyl sulfate 2469.97
    ethyl butyrate 9372.17
    methyl lactate 2310.29
    butyl lactate 5080.71
    diethyl carbonate 4987.55
    propanediol butyl ether 5193.65
    triethyl orthoformate 6777.09
    p-tert-butyltoluene 3744.48
    methyl 4-tert-butylbenzoate 3683.2
    morpholine 16067.0
    tert-butylamine 18163.7
    n-dodecanol 2884.21
    dimethoxymethane 5403.01
    ethylene carbonate 6979.41
    cyrene 2416.79
    2-ethoxyethyl acetate 6934.53
    2-ethylhexyl acetate 12425.31
    1,2,4-trichlorobenzene 6820.24
    4-methylpyridine 12444.69
    dibutyl ether 13187.64
    2,6-dimethyl-4-heptanol 5774.49
    DEF 11297.83
    dimethyl isosorbide 4744.34
    tetrachloroethylene 18696.86
    eugenol 2950.0
    triacetin 5076.99
    span 80 4009.66
    1,4-butanediol 3149.62
    1,1-dichloroethane 20032.84
    2-methyl-1-pentanol 11185.13
    methyl formate 3827.02
    2-methyl-1-butanol 15475.05
    n-decane 3391.19
    butyronitrile 14372.81
    3,7-dimethyl-1-octanol 7219.9
    1-chlorooctane 7032.07
    1-chlorotetradecane 2259.42
    n-nonane 4146.7
    undecane 2073.38
    tert-butylcyclohexane 5055.71
    cyclooctane 5893.11
    cyclopentanol 12298.78
    tetrahydropyran 25038.54
    tert-amyl methyl ether 15861.93
    2,5,8-trioxanonane 4674.44
    1-hexene 18090.24
    2-isopropoxyethanol 6594.55
    2,2,2-trifluoroethanol 3452.44
    methyl butyrate 11718.5

    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