1-[(Isopentyloxy)methoxy]-3-methylbutane

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  • Identifiers

    CAS number
    22418-64-0

    Molecular formula
    C11H24O2

    SMILES
    CC(C)CCOCOCCC(C)C

  • Odor profile

    Fragrance
    Green 93.87%
    Alcoholic 74.81%
    Ethereal 73.49%
    Fermented 68.34%
    Cognac 65.29%
    Cocoa 56.79%
    Fruity 54.44%
    Malty 50.88%
    Apple 42.17%
    Vegetable 33.82%

     

    Flavor
    Fruity 69.82%
    Green 65.52%
    Tropical 33.4%
    Ethereal 32.99%
    Apple 28.89%
    Pineapple 28.14%
    Earthy 26.92%
    Wine 26.5%
    Oily 26.1%
    Fermented 25.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.23 (neutral)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 79.38 ˚C est.

  • Synonyms

    • 3-methyl-1-(3-methylbutoxymethoxy)butane
    • 22418-64-0
    • 1-[(Isopentyloxy)methoxy]-3-methylbutane
    • SCHEMBL6179192
    • DTXSID00945083
    • AKOS034834164
    • 1-[(Isopentyloxy)methoxy]-3-methylbutane #
    • Butane, 1,1'-[methylenebis(oxy)]bis[3-methyl-
    • 1,1a(2)-[Methylenebis(oxy)]bis[3-methylbutane]

  • Applications

    1-[(Isopentyloxy)methoxy]-3-methylbutane is typically used as a solvent and chemical intermediate in organic synthesis and formulation work. In industrial manufacturing it may serve as a specialty solvent or processing aid for coatings and inks, and as a precursor for ether derivatives in polymer chemistry. It can also be encountered in fragrance and cosmetics applications as a solvent carrier or formulation component, and may function as a co-solvent in certain cleaning product formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 892.64
    methanol 526.33
    isopropanol 1084.59
    water 1.03
    ethyl acetate 1287.95
    n-propanol 933.88
    acetone 1424.64
    n-butanol 1063.58
    acetonitrile 759.64
    DMF 874.85
    toluene 570.29
    isobutanol 911.81
    1,4-dioxane 1643.24
    methyl acetate 1034.67
    THF 2958.69
    2-butanone 1208.6
    n-pentanol 653.99
    sec-butanol 1127.73
    n-hexane 737.87
    ethylene glycol 159.29
    NMP 1370.43
    cyclohexane 1563.83
    DMSO 1165.66
    n-butyl acetate 1714.33
    n-octanol 678.31
    chloroform 5631.69
    n-propyl acetate 999.07
    acetic acid 1796.29
    dichloromethane 3676.53
    cyclohexanone 2559.58
    propylene glycol 366.03
    isopropyl acetate 993.14
    DMAc 850.42
    2-ethoxyethanol 706.22
    isopentanol 1032.45
    n-heptane 747.72
    ethyl formate 702.43
    1,2-dichloroethane 2095.06
    n-hexanol 1123.08
    2-methoxyethanol 1000.43
    isobutyl acetate 820.58
    tetrachloromethane 1244.84
    n-pentyl acetate 980.26
    transcutol 2571.72
    n-heptanol 622.73
    ethylbenzene 430.59
    MIBK 729.73
    2-propoxyethanol 1154.39
    tert-butanol 1745.92
    MTBE 1363.14
    2-butoxyethanol 882.81
    propionic acid 1267.77
    o-xylene 508.88
    formic acid 279.91
    diethyl ether 1044.34
    m-xylene 474.95
    p-xylene 716.25
    chlorobenzene 1088.32
    dimethyl carbonate 310.38
    n-octane 256.54
    formamide 311.35
    cyclopentanone 2368.17
    2-pentanone 1069.13
    anisole 581.21
    cyclopentyl methyl ether 1553.21
    gamma-butyrolactone 2360.31
    1-methoxy-2-propanol 953.34
    pyridine 1334.03
    3-pentanone 938.95
    furfural 1637.31
    n-dodecane 156.32
    diethylene glycol 622.25
    diisopropyl ether 567.18
    tert-amyl alcohol 1489.81
    acetylacetone 1165.51
    n-hexadecane 177.92
    acetophenone 702.93
    methyl propionate 860.23
    isopentyl acetate 1550.58
    trichloroethylene 3998.18
    n-nonanol 630.12
    cyclohexanol 1708.38
    benzyl alcohol 499.4
    2-ethylhexanol 990.3
    isooctanol 602.42
    dipropyl ether 1338.24
    1,2-dichlorobenzene 1193.9
    ethyl lactate 475.03
    propylene carbonate 1620.18
    n-methylformamide 472.16
    2-pentanol 956.37
    n-pentane 510.16
    1-propoxy-2-propanol 1285.41
    1-methoxy-2-propyl acetate 1150.34
    2-(2-methoxypropoxy) propanol 794.47
    mesitylene 413.2
    ε-caprolactone 2104.43
    p-cymene 506.72
    epichlorohydrin 2217.15
    1,1,1-trichloroethane 3385.55
    2-aminoethanol 369.87
    morpholine-4-carbaldehyde 1207.5
    sulfolane 2642.39
    2,2,4-trimethylpentane 306.77
    2-methyltetrahydrofuran 2323.87
    n-hexyl acetate 1400.27
    isooctane 226.47
    2-(2-butoxyethoxy)ethanol 1065.87
    sec-butyl acetate 797.85
    tert-butyl acetate 1246.02
    decalin 468.34
    glycerin 429.56
    diglyme 1747.79
    acrylic acid 931.5
    isopropyl myristate 624.83
    n-butyric acid 2011.83
    acetyl acetate 1081.97
    di(2-ethylhexyl) phthalate 450.39
    ethyl propionate 834.29
    nitromethane 1612.59
    1,2-diethoxyethane 1165.26
    benzonitrile 803.47
    trioctyl phosphate 397.32
    1-bromopropane 1685.29
    gamma-valerolactone 2210.81
    n-decanol 459.36
    triethyl phosphate 556.96
    4-methyl-2-pentanol 592.58
    propionitrile 785.54
    vinylene carbonate 1220.03
    1,1,2-trichlorotrifluoroethane 1995.74
    DMS 805.3
    cumene 374.41
    2-octanol 511.38
    2-hexanone 908.83
    octyl acetate 696.55
    limonene 899.91
    1,2-dimethoxyethane 1291.19
    ethyl orthosilicate 574.07
    tributyl phosphate 532.77
    diacetone alcohol 1094.8
    N,N-dimethylaniline 438.15
    acrylonitrile 753.9
    aniline 660.29
    1,3-propanediol 671.76
    bromobenzene 1243.44
    dibromomethane 2945.93
    1,1,2,2-tetrachloroethane 4017.31
    2-methyl-cyclohexyl acetate 1046.95
    tetrabutyl urea 597.33
    diisobutyl methanol 756.16
    2-phenylethanol 626.52
    styrene 471.74
    dioctyl adipate 766.44
    dimethyl sulfate 532.93
    ethyl butyrate 1243.57
    methyl lactate 472.38
    butyl lactate 816.27
    diethyl carbonate 818.03
    propanediol butyl ether 827.9
    triethyl orthoformate 962.54
    p-tert-butyltoluene 508.07
    methyl 4-tert-butylbenzoate 835.3
    morpholine 1842.51
    tert-butylamine 1347.57
    n-dodecanol 369.21
    dimethoxymethane 632.33
    ethylene carbonate 1162.65
    cyrene 601.69
    2-ethoxyethyl acetate 905.77
    2-ethylhexyl acetate 1254.83
    1,2,4-trichlorobenzene 1384.53
    4-methylpyridine 1176.04
    dibutyl ether 1247.23
    2,6-dimethyl-4-heptanol 756.16
    DEF 998.26
    dimethyl isosorbide 1293.04
    tetrachloroethylene 2719.94
    eugenol 680.18
    triacetin 1103.19
    span 80 948.69
    1,4-butanediol 281.56
    1,1-dichloroethane 2697.87
    2-methyl-1-pentanol 634.25
    methyl formate 406.27
    2-methyl-1-butanol 901.34
    n-decane 272.36
    butyronitrile 1001.66
    3,7-dimethyl-1-octanol 809.01
    1-chlorooctane 711.59
    1-chlorotetradecane 308.76
    n-nonane 301.99
    undecane 194.43
    tert-butylcyclohexane 424.33
    cyclooctane 446.88
    cyclopentanol 1600.7
    tetrahydropyran 2501.73
    tert-amyl methyl ether 989.98
    2,5,8-trioxanonane 1086.38
    1-hexene 1051.63
    2-isopropoxyethanol 637.92
    2,2,2-trifluoroethanol 635.98
    methyl butyrate 1165.22

    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