Propane, 2-methyl-1,1-bis(2-methylpropoxy)-

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  • Identifiers

    CAS number
    13262-24-3

    Molecular formula
    C12H26O2

    SMILES
    CC(C)COC(C(C)C)OCC(C)C

  • Odor profile

    Fragrance
    Green 91.11%
    Alcoholic 78.91%
    Ethereal 75.45%
    Fermented 74.45%
    Cocoa 61.12%
    Malty 61.04%
    Cognac 48.52%
    Apple 28.13%
    Oily 21.16%
    Nutty 21.07%

     

    Flavor
    Fruity 46.87%
    Green 45.46%
    Tropical 30.7%
    Sweet 23.59%
    Ethereal 22.9%
    Oily 22.3%
    Grape skin 22.18%
    Fermented 22.07%
    Earthy 21.77%
    Catty 21.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.8 (neutral)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    194°C

    Flash point

    • 58.79 ˚C est.

  • Synonyms

    • 2-methyl-1,1-bis(2-methylpropoxy)propane
    • 13262-24-3
    • Propane, 2-methyl-1,1-bis(2-methylpropoxy)-
    • 1,1-Diisobutoxy-isobutane
    • 1,1-diisobutoxyisobutane
    • 1,1-dii-butoxy-isobutane
    • SCHEMBL9455726
    • DTXSID20337880
    • 1,1-Diisobutoxy-2-methylpropane #
    • NS00124563
    • 895-472-5

  • Applications

    Propane, 2-methyl-1,1-bis(2-methylpropoxy)- is a di(2-methylpropoxy)propane ether. In industrial practice, it is used mainly as a specialty solvent and processing aid. It can serve as an intermediate in the synthesis of other ether derivatives and may be employed in coatings, inks, and adhesives formulations to dissolve resins and facilitate film formation. The bulky ether substituents confer relatively low vapor pressure, making it suitable as a solvent component in fragrance materials and related formulations. It may also be evaluated as a processing solvent in electronics-related applications such as photoresists and cleaning formulations, and in plastics/polymer processing where it acts as a solvent or plasticizer-like additive. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1287.47
    methanol 1038.09
    isopropanol 1131.05
    water 1.89
    ethyl acetate 1077.44
    n-propanol 1170.29
    acetone 970.23
    n-butanol 1349.5
    acetonitrile 777.14
    DMF 751.26
    toluene 1075.32
    isobutanol 1064.08
    1,4-dioxane 1704.85
    methyl acetate 854.52
    THF 2525.97
    2-butanone 1117.57
    n-pentanol 1177.22
    sec-butanol 1404.09
    n-hexane 1267.06
    ethylene glycol 147.72
    NMP 1027.92
    cyclohexane 1698.86
    DMSO 689.83
    n-butyl acetate 2178.49
    n-octanol 1189.99
    chloroform 4973.15
    n-propyl acetate 1269.54
    acetic acid 1124.78
    dichloromethane 3382.61
    cyclohexanone 2006.32
    propylene glycol 299.28
    isopropyl acetate 926.23
    DMAc 862.27
    2-ethoxyethanol 1037.61
    isopentanol 1366.71
    n-heptane 1529.25
    ethyl formate 896.03
    1,2-dichloroethane 1614.62
    n-hexanol 1835.17
    2-methoxyethanol 1076.85
    isobutyl acetate 1017.7
    tetrachloromethane 1301.8
    n-pentyl acetate 1489.8
    transcutol 2074.72
    n-heptanol 1233.93
    ethylbenzene 989.85
    MIBK 804.57
    2-propoxyethanol 1409.89
    tert-butanol 1412.24
    MTBE 1580.28
    2-butoxyethanol 1342.69
    propionic acid 833.94
    o-xylene 795.7
    formic acid 286.33
    diethyl ether 1266.21
    m-xylene 815.96
    p-xylene 1523.33
    chlorobenzene 1228.17
    dimethyl carbonate 253.46
    n-octane 591.9
    formamide 295.12
    cyclopentanone 1552.83
    2-pentanone 1032.26
    anisole 1002.38
    cyclopentyl methyl ether 1536.74
    gamma-butyrolactone 1555.91
    1-methoxy-2-propanol 882.51
    pyridine 1523.73
    3-pentanone 734.63
    furfural 1482.86
    n-dodecane 328.75
    diethylene glycol 607.09
    diisopropyl ether 722.16
    tert-amyl alcohol 1584.4
    acetylacetone 852.69
    n-hexadecane 365.13
    acetophenone 1035.73
    methyl propionate 641.22
    isopentyl acetate 2111.88
    trichloroethylene 3070.95
    n-nonanol 1078.38
    cyclohexanol 1637.54
    benzyl alcohol 866.53
    2-ethylhexanol 1818.2
    isooctanol 1102.25
    dipropyl ether 1768.39
    1,2-dichlorobenzene 1148.97
    ethyl lactate 539.95
    propylene carbonate 1282.4
    n-methylformamide 490.05
    2-pentanol 1156.61
    n-pentane 818.02
    1-propoxy-2-propanol 1527.84
    1-methoxy-2-propyl acetate 1078.62
    2-(2-methoxypropoxy) propanol 843.65
    mesitylene 615.68
    ε-caprolactone 1903.14
    p-cymene 1064.55
    epichlorohydrin 1903.43
    1,1,1-trichloroethane 2391.19
    2-aminoethanol 401.02
    morpholine-4-carbaldehyde 1191.24
    sulfolane 1428.43
    2,2,4-trimethylpentane 463.07
    2-methyltetrahydrofuran 2376.05
    n-hexyl acetate 1772.19
    isooctane 369.71
    2-(2-butoxyethoxy)ethanol 1128.79
    sec-butyl acetate 989.88
    tert-butyl acetate 1024.46
    decalin 815.84
    glycerin 300.89
    diglyme 1978.86
    acrylic acid 602.58
    isopropyl myristate 791.82
    n-butyric acid 1566.41
    acetyl acetate 726.41
    di(2-ethylhexyl) phthalate 587.68
    ethyl propionate 913.98
    nitromethane 967.84
    1,2-diethoxyethane 1430.65
    benzonitrile 1290.66
    trioctyl phosphate 549.45
    1-bromopropane 1800.93
    gamma-valerolactone 1872.82
    n-decanol 775.65
    triethyl phosphate 718.18
    4-methyl-2-pentanol 772.78
    propionitrile 923.44
    vinylene carbonate 1131.79
    1,1,2-trichlorotrifluoroethane 1362.19
    DMS 631.56
    cumene 791.27
    2-octanol 1057.88
    2-hexanone 1328.79
    octyl acetate 964.28
    limonene 1466.82
    1,2-dimethoxyethane 1925.27
    ethyl orthosilicate 833.27
    tributyl phosphate 655.42
    diacetone alcohol 853.98
    N,N-dimethylaniline 823.48
    acrylonitrile 795.51
    aniline 819.42
    1,3-propanediol 677.5
    bromobenzene 1487.81
    dibromomethane 2942.17
    1,1,2,2-tetrachloroethane 2967.63
    2-methyl-cyclohexyl acetate 1416.13
    tetrabutyl urea 718.28
    diisobutyl methanol 1061.03
    2-phenylethanol 1063.85
    styrene 1019.82
    dioctyl adipate 1008.36
    dimethyl sulfate 299.48
    ethyl butyrate 1631.85
    methyl lactate 348.46
    butyl lactate 1012.09
    diethyl carbonate 1063.1
    propanediol butyl ether 1001.19
    triethyl orthoformate 1353.29
    p-tert-butyltoluene 972.9
    methyl 4-tert-butylbenzoate 920.26
    morpholine 1864.65
    tert-butylamine 1303.45
    n-dodecanol 613.17
    dimethoxymethane 654.78
    ethylene carbonate 1048.42
    cyrene 728.51
    2-ethoxyethyl acetate 1128.1
    2-ethylhexyl acetate 1875.48
    1,2,4-trichlorobenzene 1308.88
    4-methylpyridine 1705.56
    dibutyl ether 1708.72
    2,6-dimethyl-4-heptanol 1061.03
    DEF 982.94
    dimethyl isosorbide 1348.13
    tetrachloroethylene 2026.56
    eugenol 843.04
    triacetin 984.64
    span 80 1070.45
    1,4-butanediol 434.93
    1,1-dichloroethane 2036.19
    2-methyl-1-pentanol 1285.84
    methyl formate 426.83
    2-methyl-1-butanol 1252.37
    n-decane 595.04
    butyronitrile 1486.51
    3,7-dimethyl-1-octanol 1188.55
    1-chlorooctane 1146.89
    1-chlorotetradecane 497.31
    n-nonane 673.58
    undecane 413.01
    tert-butylcyclohexane 756.03
    cyclooctane 723.77
    cyclopentanol 1319.85
    tetrahydropyran 2444.26
    tert-amyl methyl ether 1267.32
    2,5,8-trioxanonane 1142.13
    1-hexene 1769.44
    2-isopropoxyethanol 899.74
    2,2,2-trifluoroethanol 340.52
    methyl butyrate 1412.96

    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