1-(1-Ethoxypropoxy)-3-methylbutane

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  • Identifiers

    CAS number
    238757-30-7

    Molecular formula
    C10H22O2

    SMILES
    CCC(OCC)OCCC(C)C

  • Odor profile

    Green 96.12%
    Ethereal 82.19%
    Alcoholic 80.31%
    Cognac 72.82%
    Fermented 69.18%
    Malty 58.19%
    Cocoa 55.97%
    Fruity 44.32%
    Apple 40.91%
    Vegetable 39.97%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.08 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point est.
    53.28 ˚C

  • Synonyms

    • 1-(1-ethoxypropoxy)-3-methylbutane
    • 238757-30-7
    • DTXSID60698088
    • PROPANAL ETHYL ISOPENTYL ACETAL
    • NS00126361

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11685.3
    methanol 9132.74
    isopropanol 10836.28
    water 3.66
    ethyl acetate 9151.07
    n-propanol 9942.54
    acetone 8735.69
    n-butanol 10635.55
    acetonitrile 7311.14
    DMF 4027.6
    toluene 3723.22
    isobutanol 9192.59
    1,4-dioxane 10728.51
    methyl acetate 5605.03
    THF 11464.68
    2-butanone 7177.02
    n-pentanol 7784.27
    sec-butanol 11903.58
    n-hexane 8686.79
    ethylene glycol 877.69
    NMP 4342.14
    cyclohexane 11160.34
    DMSO 4764.51
    n-butyl acetate 10718.88
    n-octanol 4522.77
    chloroform 21081.99
    n-propyl acetate 6296.26
    acetic acid 9125.37
    dichloromethane 14998.87
    cyclohexanone 12378.62
    propylene glycol 1720.89
    isopropyl acetate 6485.32
    DMAc 3710.88
    2-ethoxyethanol 5131.7
    isopentanol 9921.73
    n-heptane 5346.15
    ethyl formate 4551.9
    1,2-dichloroethane 8490.58
    n-hexanol 10341.89
    2-methoxyethanol 6465.82
    isobutyl acetate 3919.08
    tetrachloromethane 5982.53
    n-pentyl acetate 5665.19
    transcutol 10910.14
    n-heptanol 3858.78
    ethylbenzene 2568.48
    MIBK 4137.38
    2-propoxyethanol 6731.35
    tert-butanol 13518.7
    MTBE 13676.86
    2-butoxyethanol 4072.07
    propionic acid 5763.26
    o-xylene 2476.16
    formic acid 1472.89
    diethyl ether 12933.08
    m-xylene 2388.36
    p-xylene 3888.72
    chlorobenzene 4796.08
    dimethyl carbonate 974.85
    n-octane 1619.3
    formamide 1458.94
    cyclopentanone 7250.35
    2-pentanone 6996.01
    anisole 2939.8
    cyclopentyl methyl ether 7988.29
    gamma-butyrolactone 6547.97
    1-methoxy-2-propanol 4937.03
    pyridine 7469.55
    3-pentanone 4653.66
    furfural 4840.84
    n-dodecane 808.91
    diethylene glycol 2756.46
    diisopropyl ether 4684.42
    tert-amyl alcohol 12833.97
    acetylacetone 4546.72
    n-hexadecane 919.91
    acetophenone 2558.19
    methyl propionate 3793.84
    isopentyl acetate 8193.68
    trichloroethylene 13552.11
    n-nonanol 3602.34
    cyclohexanol 12018.2
    benzyl alcohol 2585.88
    2-ethylhexanol 7071.47
    isooctanol 3154.99
    dipropyl ether 8131.03
    1,2-dichlorobenzene 3845.34
    ethyl lactate 1554.99
    propylene carbonate 4545.8
    n-methylformamide 2509.53
    2-pentanol 9119.08
    n-pentane 5713.66
    1-propoxy-2-propanol 6255.24
    1-methoxy-2-propyl acetate 4008.86
    2-(2-methoxypropoxy) propanol 2357.6
    mesitylene 1803.0
    ε-caprolactone 9675.45
    p-cymene 2035.69
    epichlorohydrin 7608.18
    1,1,1-trichloroethane 12213.32
    2-aminoethanol 2333.01
    morpholine-4-carbaldehyde 4687.7
    sulfolane 5702.06
    2,2,4-trimethylpentane 1999.11
    2-methyltetrahydrofuran 13261.89
    n-hexyl acetate 7340.3
    isooctane 1405.53
    2-(2-butoxyethoxy)ethanol 3546.18
    sec-butyl acetate 4495.49
    tert-butyl acetate 5343.82
    decalin 2641.65
    glycerin 1635.6
    diglyme 6395.26
    acrylic acid 3369.93
    isopropyl myristate 2198.81
    n-butyric acid 11677.48
    acetyl acetate 4438.37
    di(2-ethylhexyl) phthalate 1325.16
    ethyl propionate 4291.72
    nitromethane 6907.5
    1,2-diethoxyethane 7248.29
    benzonitrile 4352.18
    trioctyl phosphate 1213.77
    1-bromopropane 9898.14
    gamma-valerolactone 7876.62
    n-decanol 2388.36
    triethyl phosphate 1675.79
    4-methyl-2-pentanol 4147.93
    propionitrile 6327.69
    vinylene carbonate 3741.51
    1,1,2-trichlorotrifluoroethane 5784.66
    DMS 2250.98
    cumene 1854.02
    2-octanol 3462.55
    2-hexanone 6606.38
    octyl acetate 2591.64
    limonene 4047.14
    1,2-dimethoxyethane 9361.07
    ethyl orthosilicate 2007.97
    tributyl phosphate 1706.83
    diacetone alcohol 3991.18
    N,N-dimethylaniline 2092.09
    acrylonitrile 4765.95
    aniline 3705.11
    1,3-propanediol 4180.58
    bromobenzene 5293.14
    dibromomethane 13160.78
    1,1,2,2-tetrachloroethane 13046.88
    2-methyl-cyclohexyl acetate 3499.6
    tetrabutyl urea 1891.91
    diisobutyl methanol 3200.09
    2-phenylethanol 2869.29
    styrene 3129.72
    dioctyl adipate 2345.05
    dimethyl sulfate 1293.12
    ethyl butyrate 5714.33
    methyl lactate 1338.04
    butyl lactate 2871.95
    diethyl carbonate 2883.11
    propanediol butyl ether 3220.56
    triethyl orthoformate 4030.16
    p-tert-butyltoluene 1928.82
    methyl 4-tert-butylbenzoate 2099.37
    morpholine 12454.68
    tert-butylamine 11958.73
    n-dodecanol 1777.79
    dimethoxymethane 3075.4
    ethylene carbonate 4150.03
    cyrene 1586.25
    2-ethoxyethyl acetate 4004.32
    2-ethylhexyl acetate 6835.26
    1,2,4-trichlorobenzene 4139.88
    4-methylpyridine 8034.41
    dibutyl ether 8020.86
    2,6-dimethyl-4-heptanol 3200.09
    DEF 6152.98
    dimethyl isosorbide 3099.88
    tetrachloroethylene 10121.44
    eugenol 1783.59
    triacetin 3180.44
    span 80 2861.08
    1,4-butanediol 1993.33
    1,1-dichloroethane 12236.74
    2-methyl-1-pentanol 7134.44
    methyl formate 1927.72
    2-methyl-1-butanol 9618.97
    n-decane 1717.41
    butyronitrile 9398.46
    3,7-dimethyl-1-octanol 4222.51
    1-chlorooctane 3890.44
    1-chlorotetradecane 1315.15
    n-nonane 2087.34
    undecane 1095.25
    tert-butylcyclohexane 2397.71
    cyclooctane 2844.4
    cyclopentanol 8362.39
    tetrahydropyran 17962.08
    tert-amyl methyl ether 8388.95
    2,5,8-trioxanonane 3279.95
    1-hexene 12553.23
    2-isopropoxyethanol 4111.78
    2,2,2-trifluoroethanol 1859.28
    methyl butyrate 6547.51

    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