2-Methyl-1,1-di-isopentyloxypropane

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  • Identifiers

    CAS number
    13112-63-5

    Molecular formula
    C14H30O2

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

  • Odor profile

    Fragrance
    Green 95.89%
    Alcoholic 79.74%
    Fermented 74.29%
    Ethereal 69.19%
    Cocoa 67.92%
    Malty 64.73%
    Cognac 61.97%
    Apple 35.56%
    Vegetable 29.59%
    Oily 28.92%

     

    Flavor
    Green 60.05%
    Fruity 58.38%
    Tropical 32.18%
    Ethereal 28.71%
    Fermented 26.16%
    Oily 26.1%
    Waxy 23.58%
    Earthy 23.21%
    Apple 21.82%
    Yeasty 21.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.49 (neutral)

    Molecular weight
    230.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 93.94 ˚C est.

  • Synonyms

    • Diisopentyl acetal propane
    • MN4RB37ZMA
    • 13112-63-5
    • 2-METHYL-1,1-DI-ISOPENTYLOXYPROPANE
    • Isobutyraldehyde, diisopentyl acetal
    • Propane, 1,1-bis(isopentyloxy)-2-methyl-
    • UNII-MN4RB37ZMA
    • 1,1'-((2-Methylpropylidene)bis(oxy))bis(3-methylbutane)
    • Butane, 1,1'-((2-methylpropylidene)bis(oxy))bis(3-methyl-
    • 3-Methyl-1-[2-methyl-1-(3-methylbutoxy)propoxy]butane
    • DTXSID40721500
    • isobutyraldehyde diisopentyl acetal
    • NS00123209

  • Applications

    2-Methyl-1,1-di-isopentyloxypropane (CAS 13112-63-5) is commonly viewed as a bulky ether used primarily as a solvent and chemical synthesis intermediate; practical applications include acting as a solvent for polymer and rubber systems in plastics processing, functioning as a plasticizer and processing aid for coatings, paints and inks, serving as a solvent for adhesives and industrial cleaning formulations, and identifying as a precursor or intermediate in the synthesis of specialized organic compounds; additionally, it may be used in cleaning and surface-treatment workflows across various industrial sectors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11481.66
    methanol 7874.93
    isopropanol 13863.2
    water 10.01
    ethyl acetate 20091.72
    n-propanol 12068.23
    acetone 19673.12
    n-butanol 14127.28
    acetonitrile 11562.42
    DMF 9738.98
    toluene 10494.96
    isobutanol 13408.85
    1,4-dioxane 19752.71
    methyl acetate 13102.56
    THF 21569.92
    2-butanone 15902.61
    n-pentanol 9257.67
    sec-butanol 16176.03
    n-hexane 18953.74
    ethylene glycol 983.87
    NMP 10876.0
    cyclohexane 32067.21
    DMSO 7353.81
    n-butyl acetate 23806.55
    n-octanol 9445.99
    chloroform 44871.02
    n-propyl acetate 15158.7
    acetic acid 17611.42
    dichloromethane 29204.6
    cyclohexanone 30848.61
    propylene glycol 2138.9
    isopropyl acetate 17760.06
    DMAc 10520.12
    2-ethoxyethanol 7566.8
    isopentanol 16034.61
    n-heptane 14528.09
    ethyl formate 9882.11
    1,2-dichloroethane 19471.04
    n-hexanol 15063.51
    2-methoxyethanol 9361.73
    isobutyl acetate 11195.96
    tetrachloromethane 17657.17
    n-pentyl acetate 15894.1
    transcutol 20448.0
    n-heptanol 8852.97
    ethylbenzene 7885.04
    MIBK 11614.18
    2-propoxyethanol 10217.26
    tert-butanol 20809.51
    MTBE 27821.47
    2-butoxyethanol 9952.08
    propionic acid 11015.87
    o-xylene 8335.63
    formic acid 2822.43
    diethyl ether 22854.72
    m-xylene 7765.83
    p-xylene 12954.97
    chlorobenzene 11855.26
    dimethyl carbonate 3472.24
    n-octane 5435.96
    formamide 3083.28
    cyclopentanone 18689.35
    2-pentanone 16580.4
    anisole 6919.48
    cyclopentyl methyl ether 20541.17
    gamma-butyrolactone 16287.61
    1-methoxy-2-propanol 8496.92
    pyridine 14535.03
    3-pentanone 13028.89
    furfural 11036.13
    n-dodecane 2325.74
    diethylene glycol 4141.85
    diisopropyl ether 13724.57
    tert-amyl alcohol 22769.16
    acetylacetone 13564.88
    n-hexadecane 2725.72
    acetophenone 7140.43
    methyl propionate 10053.55
    isopentyl acetate 21743.76
    trichloroethylene 34161.99
    n-nonanol 8047.57
    cyclohexanol 23416.16
    benzyl alcohol 5198.66
    2-ethylhexanol 14710.98
    isooctanol 8311.3
    dipropyl ether 18914.61
    1,2-dichlorobenzene 9695.46
    ethyl lactate 3734.54
    propylene carbonate 11905.4
    n-methylformamide 5565.43
    2-pentanol 15349.95
    n-pentane 12497.18
    1-propoxy-2-propanol 11743.26
    1-methoxy-2-propyl acetate 10784.89
    2-(2-methoxypropoxy) propanol 5030.67
    mesitylene 6352.36
    ε-caprolactone 24721.3
    p-cymene 6498.6
    epichlorohydrin 16906.73
    1,1,1-trichloroethane 35621.08
    2-aminoethanol 2801.11
    morpholine-4-carbaldehyde 10774.02
    sulfolane 13869.54
    2,2,4-trimethylpentane 6365.04
    2-methyltetrahydrofuran 26148.91
    n-hexyl acetate 18869.05
    isooctane 4340.19
    2-(2-butoxyethoxy)ethanol 7639.32
    sec-butyl acetate 13431.95
    tert-butyl acetate 17384.03
    decalin 9861.05
    glycerin 2259.31
    diglyme 16040.84
    acrylic acid 6948.49
    isopropyl myristate 6440.8
    n-butyric acid 22455.06
    acetyl acetate 13101.36
    di(2-ethylhexyl) phthalate 3129.9
    ethyl propionate 11799.59
    nitromethane 16091.17
    1,2-diethoxyethane 15240.32
    benzonitrile 8294.17
    trioctyl phosphate 3390.08
    1-bromopropane 20226.59
    gamma-valerolactone 19154.21
    n-decanol 5300.07
    triethyl phosphate 4944.37
    4-methyl-2-pentanol 9271.71
    propionitrile 9550.95
    vinylene carbonate 9554.87
    1,1,2-trichlorotrifluoroethane 13377.3
    DMS 7301.16
    cumene 5923.6
    2-octanol 8302.27
    2-hexanone 13776.78
    octyl acetate 7256.05
    limonene 12373.63
    1,2-dimethoxyethane 15647.73
    ethyl orthosilicate 5980.95
    tributyl phosphate 4700.67
    diacetone alcohol 10260.03
    N,N-dimethylaniline 5394.62
    acrylonitrile 7332.63
    aniline 7858.23
    1,3-propanediol 6121.5
    bromobenzene 13660.6
    dibromomethane 26188.57
    1,1,2,2-tetrachloroethane 32529.0
    2-methyl-cyclohexyl acetate 10304.89
    tetrabutyl urea 5003.68
    diisobutyl methanol 8615.95
    2-phenylethanol 5872.57
    styrene 8124.13
    dioctyl adipate 6152.19
    dimethyl sulfate 4225.35
    ethyl butyrate 15098.99
    methyl lactate 3368.25
    butyl lactate 7921.77
    diethyl carbonate 8285.62
    propanediol butyl ether 6065.71
    triethyl orthoformate 11383.54
    p-tert-butyltoluene 5932.31
    methyl 4-tert-butylbenzoate 6157.53
    morpholine 19886.1
    tert-butylamine 18993.23
    n-dodecanol 4006.6
    dimethoxymethane 7604.49
    ethylene carbonate 11053.38
    cyrene 3285.65
    2-ethoxyethyl acetate 11563.96
    2-ethylhexyl acetate 18734.24
    1,2,4-trichlorobenzene 10567.63
    4-methylpyridine 16924.35
    dibutyl ether 18910.39
    2,6-dimethyl-4-heptanol 8615.95
    DEF 16158.45
    dimethyl isosorbide 7332.39
    tetrachloroethylene 26666.05
    eugenol 4401.57
    triacetin 8604.6
    span 80 5861.2
    1,4-butanediol 2762.17
    1,1-dichloroethane 27764.68
    2-methyl-1-pentanol 10726.02
    methyl formate 4998.92
    2-methyl-1-butanol 15455.53
    n-decane 5240.07
    butyronitrile 14509.37
    3,7-dimethyl-1-octanol 9854.94
    1-chlorooctane 10975.75
    1-chlorotetradecane 3615.55
    n-nonane 6280.04
    undecane 3216.35
    tert-butylcyclohexane 8468.74
    cyclooctane 10871.09
    cyclopentanol 14928.42
    tetrahydropyran 32207.54
    tert-amyl methyl ether 21275.28
    2,5,8-trioxanonane 6873.08
    1-hexene 21894.22
    2-isopropoxyethanol 6953.22
    2,2,2-trifluoroethanol 5337.49
    methyl butyrate 17005.15

    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