1-[1-(3-Methylbutoxy)ethoxy]pentane

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  • Identifiers

    CAS number
    13442-92-7

    Molecular formula
    C12H26O2

    SMILES
    CCCCCOC(C)OCCC(C)C

  • Odor profile

    Green 97.92%
    Alcoholic 81.38%
    Cognac 77.01%
    Ethereal 76.2%
    Fermented 63.95%
    Cocoa 52.58%
    Vegetable 51.76%
    Malty 50.76%
    Apple 43.95%
    Fruity 35.35%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.8 (neutral)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    79.91 ˚C

  • Synonyms

    • 13442-92-7
    • 1-[1-(3-methylbutoxy)ethoxy]pentane
    • DTXSID30699764
    • acetaldehyde 3-methyl butyl pentyl acetal
    • NS00127152

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6895.74
    methanol 5024.3
    isopropanol 6238.1
    water 0.73
    ethyl acetate 5966.22
    n-propanol 5701.04
    acetone 5456.11
    n-butanol 6369.05
    acetonitrile 3510.26
    DMF 2020.24
    toluene 2361.21
    isobutanol 4789.06
    1,4-dioxane 7669.82
    methyl acetate 3346.91
    THF 9131.04
    2-butanone 4432.84
    n-pentanol 4722.2
    sec-butanol 6409.27
    n-hexane 5171.78
    ethylene glycol 392.01
    NMP 2425.17
    cyclohexane 7401.54
    DMSO 3586.02
    n-butyl acetate 6878.31
    n-octanol 2454.18
    chloroform 12144.39
    n-propyl acetate 4244.92
    acetic acid 3761.52
    dichloromethane 9569.21
    cyclohexanone 7887.79
    propylene glycol 901.46
    isopropyl acetate 4313.77
    DMAc 2093.8
    2-ethoxyethanol 3170.57
    isopentanol 5838.46
    n-heptane 3422.21
    ethyl formate 2572.4
    1,2-dichloroethane 5726.15
    n-hexanol 6045.72
    2-methoxyethanol 3974.65
    isobutyl acetate 2600.0
    tetrachloromethane 2819.16
    n-pentyl acetate 3711.8
    transcutol 8489.64
    n-heptanol 2275.8
    ethylbenzene 1566.05
    MIBK 2723.71
    2-propoxyethanol 4581.77
    tert-butanol 7429.96
    MTBE 7335.86
    2-butoxyethanol 2585.6
    propionic acid 2918.47
    o-xylene 1563.26
    formic acid 579.42
    diethyl ether 8439.14
    m-xylene 1522.91
    p-xylene 2266.75
    chlorobenzene 2933.86
    dimethyl carbonate 544.46
    n-octane 898.79
    formamide 675.02
    cyclopentanone 4546.31
    2-pentanone 4423.35
    anisole 1916.5
    cyclopentyl methyl ether 5583.81
    gamma-butyrolactone 4106.63
    1-methoxy-2-propanol 3255.26
    pyridine 4729.5
    3-pentanone 2963.1
    furfural 2944.47
    n-dodecane 440.11
    diethylene glycol 1744.8
    diisopropyl ether 2929.43
    tert-amyl alcohol 6994.4
    acetylacetone 3338.88
    n-hexadecane 510.55
    acetophenone 1715.06
    methyl propionate 2483.24
    isopentyl acetate 5466.9
    trichloroethylene 7974.64
    n-nonanol 2071.77
    cyclohexanol 7424.6
    benzyl alcohol 1573.78
    2-ethylhexanol 4523.49
    isooctanol 1913.45
    dipropyl ether 6367.63
    1,2-dichlorobenzene 2456.89
    ethyl lactate 1131.32
    propylene carbonate 2859.81
    n-methylformamide 1200.35
    2-pentanol 5423.58
    n-pentane 3208.64
    1-propoxy-2-propanol 4627.45
    1-methoxy-2-propyl acetate 3164.19
    2-(2-methoxypropoxy) propanol 1649.71
    mesitylene 1113.48
    ε-caprolactone 6464.81
    p-cymene 1299.86
    epichlorohydrin 5300.62
    1,1,1-trichloroethane 7192.34
    2-aminoethanol 1224.51
    morpholine-4-carbaldehyde 2988.48
    sulfolane 3861.02
    2,2,4-trimethylpentane 1047.45
    2-methyltetrahydrofuran 9206.11
    n-hexyl acetate 4619.91
    isooctane 777.1
    2-(2-butoxyethoxy)ethanol 2623.92
    sec-butyl acetate 3131.58
    tert-butyl acetate 3908.62
    decalin 1672.27
    glycerin 852.87
    diglyme 4696.71
    acrylic acid 1624.06
    isopropyl myristate 1464.52
    n-butyric acid 6572.58
    acetyl acetate 3019.44
    di(2-ethylhexyl) phthalate 906.87
    ethyl propionate 3171.35
    nitromethane 3496.76
    1,2-diethoxyethane 5450.15
    benzonitrile 2536.61
    trioctyl phosphate 821.72
    1-bromopropane 6529.07
    gamma-valerolactone 5304.82
    n-decanol 1374.71
    triethyl phosphate 1292.41
    4-methyl-2-pentanol 2582.57
    propionitrile 3242.97
    vinylene carbonate 2261.7
    1,1,2-trichlorotrifluoroethane 3448.11
    DMS 1591.32
    cumene 1085.0
    2-octanol 1893.3
    2-hexanone 4010.73
    octyl acetate 1706.8
    limonene 2722.72
    1,2-dimethoxyethane 5902.21
    ethyl orthosilicate 1509.07
    tributyl phosphate 1183.25
    diacetone alcohol 2709.42
    N,N-dimethylaniline 1246.61
    acrylonitrile 2380.69
    aniline 2399.18
    1,3-propanediol 2477.51
    bromobenzene 3350.49
    dibromomethane 8392.61
    1,1,2,2-tetrachloroethane 7918.97
    2-methyl-cyclohexyl acetate 2577.73
    tetrabutyl urea 1287.61
    diisobutyl methanol 2156.31
    2-phenylethanol 1867.84
    styrene 1928.01
    dioctyl adipate 1683.04
    dimethyl sulfate 733.36
    ethyl butyrate 4420.39
    methyl lactate 843.0
    butyl lactate 1994.39
    diethyl carbonate 2196.43
    propanediol butyl ether 1943.51
    triethyl orthoformate 3053.29
    p-tert-butyltoluene 1241.18
    methyl 4-tert-butylbenzoate 1400.42
    morpholine 9225.66
    tert-butylamine 6440.59
    n-dodecanol 1038.35
    dimethoxymethane 2012.04
    ethylene carbonate 2597.28
    cyrene 1080.02
    2-ethoxyethyl acetate 2989.56
    2-ethylhexyl acetate 4487.94
    1,2,4-trichlorobenzene 2603.63
    4-methylpyridine 4849.56
    dibutyl ether 5526.37
    2,6-dimethyl-4-heptanol 2156.31
    DEF 3616.6
    dimethyl isosorbide 2418.41
    tetrachloroethylene 5609.77
    eugenol 1219.94
    triacetin 2274.2
    span 80 2099.55
    1,4-butanediol 1034.87
    1,1-dichloroethane 7225.42
    2-methyl-1-pentanol 4065.91
    methyl formate 854.23
    2-methyl-1-butanol 5104.75
    n-decane 923.88
    butyronitrile 5151.41
    3,7-dimethyl-1-octanol 2547.4
    1-chlorooctane 2266.44
    1-chlorotetradecane 768.17
    n-nonane 1089.4
    undecane 593.27
    tert-butylcyclohexane 1395.75
    cyclooctane 1788.29
    cyclopentanol 4910.04
    tetrahydropyran 13379.7
    tert-amyl methyl ether 4696.15
    2,5,8-trioxanonane 2504.83
    1-hexene 7866.64
    2-isopropoxyethanol 2637.08
    2,2,2-trifluoroethanol 825.88
    methyl butyrate 4513.97

    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