1,1-Diethoxy-2-methylpropane

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  • Identifiers

    CAS number
    1741-41-9

    Molecular formula
    C8H18O2

    SMILES
    CCOC(C(C)C)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 90.3%
    Green 88.65%
    Alcoholic 74.37%
    Fruity 66.94%
    Fermented 66.19%
    Cognac 63.15%
    Malty 53.07%
    Cocoa 42.92%
    Apple 41.55%
    Pungent 34.2%

     

    Flavor
    Fruity 62.98%
    Green 53.81%
    Sweet 48.3%
    Ether 38.74%
    Vegetable 35.71%
    Fruit 33.75%
    Earthy 32.46%
    Alcoholic 31.6%
    Ethereal 31.02%
    Fatty 30.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.39 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point

    • 25.19 ˚C est.

  • Synonyms

    • 1741-41-9
    • Isobutyraldehyde Diethyl Acetal
    • 1,1-Diethoxy-2-methylpropane
    • Propane, 1,1-diethoxy-2-methyl-
    • 1,1-Diethoxyisobutane
    • Isobutanal diethyl acetal
    • Isobutyraldehyde, diethyl acetal
    • 2-Methylpropanal diethyl acetal
    • EINECS 217-107-5
    • MFCD00059384
    • Isobutylaldehyde diethyl acetal
    • AI3-28228
    • DTXSID1061940
    • KZDFOVZPOBSHDH-UHFFFAOYSA-
    • ISOBUTYRALDEHYDEDIETHYLACETAL
    • Isobutyraldehyde diethylacetal
    • LCZC1629
    • SCHEMBL4094836
    • DTXCID3035555
    • BS-21738
    • SY052369
    • 1,1-Diethoxy-2-methylpropane, AldrichCPR
    • DB-319677
    • CS-0205114
    • I0287
    • NS00046228
    • D91118
    • Isobutyraldehyde diethyl acetal, analytical standard
    • 217-107-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3106.89
    methanol 3523.64
    isopropanol 3053.22
    water 11.75
    ethyl acetate 3307.96
    n-propanol 3205.97
    acetone 3903.42
    n-butanol 3066.11
    acetonitrile 3774.8
    DMF 3364.45
    toluene 2441.77
    isobutanol 3002.81
    1,4-dioxane 4634.54
    methyl acetate 3040.36
    THF 5261.72
    2-butanone 3671.42
    n-pentanol 2452.31
    sec-butanol 3685.65
    n-hexane 2652.06
    ethylene glycol 657.18
    NMP 3841.56
    cyclohexane 3843.07
    DMSO 2880.4
    n-butyl acetate 4274.94
    n-octanol 2701.41
    chloroform 15709.67
    n-propyl acetate 2818.11
    acetic acid 3532.16
    dichloromethane 12877.01
    cyclohexanone 6092.7
    propylene glycol 1023.85
    isopropyl acetate 2234.72
    DMAc 3186.68
    2-ethoxyethanol 2239.45
    isopentanol 2694.09
    n-heptane 2590.5
    ethyl formate 2652.32
    1,2-dichloroethane 5756.44
    n-hexanol 3293.17
    2-methoxyethanol 2877.87
    isobutyl acetate 1951.38
    tetrachloromethane 4659.11
    n-pentyl acetate 2846.43
    transcutol 3544.08
    n-heptanol 2103.73
    ethylbenzene 1933.35
    MIBK 1803.1
    2-propoxyethanol 2681.13
    tert-butanol 3572.15
    MTBE 3684.11
    2-butoxyethanol 2102.21
    propionic acid 2852.9
    o-xylene 1938.42
    formic acid 871.19
    diethyl ether 3684.1
    m-xylene 1656.29
    p-xylene 3049.06
    chlorobenzene 3673.02
    dimethyl carbonate 976.35
    n-octane 1040.27
    formamide 1036.19
    cyclopentanone 4747.53
    2-pentanone 2886.0
    anisole 2404.99
    cyclopentyl methyl ether 3503.28
    gamma-butyrolactone 4779.83
    1-methoxy-2-propanol 2305.34
    pyridine 4262.6
    3-pentanone 2606.78
    furfural 4213.7
    n-dodecane 683.14
    diethylene glycol 1386.25
    diisopropyl ether 1564.44
    tert-amyl alcohol 3946.19
    acetylacetone 2526.98
    n-hexadecane 756.3
    acetophenone 2282.3
    methyl propionate 2295.71
    isopentyl acetate 3487.09
    trichloroethylene 10520.84
    n-nonanol 2151.91
    cyclohexanol 4244.23
    benzyl alcohol 1892.72
    2-ethylhexanol 2961.14
    isooctanol 1751.69
    dipropyl ether 3701.79
    1,2-dichlorobenzene 3706.22
    ethyl lactate 1143.66
    propylene carbonate 3467.16
    n-methylformamide 2024.11
    2-pentanol 2626.39
    n-pentane 1902.5
    1-propoxy-2-propanol 2561.42
    1-methoxy-2-propyl acetate 2092.77
    2-(2-methoxypropoxy) propanol 1497.18
    mesitylene 1245.32
    ε-caprolactone 5029.15
    p-cymene 1899.78
    epichlorohydrin 5290.93
    1,1,1-trichloroethane 7670.68
    2-aminoethanol 1234.59
    morpholine-4-carbaldehyde 3508.89
    sulfolane 5013.4
    2,2,4-trimethylpentane 1057.05
    2-methyltetrahydrofuran 5607.55
    n-hexyl acetate 3826.34
    isooctane 661.16
    2-(2-butoxyethoxy)ethanol 1709.04
    sec-butyl acetate 1905.77
    tert-butyl acetate 2147.15
    decalin 1458.88
    glycerin 1044.32
    diglyme 3768.21
    acrylic acid 2243.2
    isopropyl myristate 1582.73
    n-butyric acid 3708.06
    acetyl acetate 2152.9
    di(2-ethylhexyl) phthalate 1066.74
    ethyl propionate 2386.15
    nitromethane 4124.49
    1,2-diethoxyethane 2635.73
    benzonitrile 3222.88
    trioctyl phosphate 1066.17
    1-bromopropane 5223.01
    gamma-valerolactone 5000.66
    n-decanol 1493.28
    triethyl phosphate 1386.26
    4-methyl-2-pentanol 1448.49
    propionitrile 3538.52
    vinylene carbonate 3344.84
    1,1,2-trichlorotrifluoroethane 3990.6
    DMS 1851.24
    cumene 1495.28
    2-octanol 2068.17
    2-hexanone 2902.96
    octyl acetate 1892.74
    limonene 2875.93
    1,2-dimethoxyethane 4554.04
    ethyl orthosilicate 1380.26
    tributyl phosphate 1268.26
    diacetone alcohol 1774.7
    N,N-dimethylaniline 1846.78
    acrylonitrile 3570.79
    aniline 2232.89
    1,3-propanediol 1770.06
    bromobenzene 4396.94
    dibromomethane 9996.96
    1,1,2,2-tetrachloroethane 9663.05
    2-methyl-cyclohexyl acetate 2337.61
    tetrabutyl urea 1452.87
    diisobutyl methanol 1630.67
    2-phenylethanol 1910.06
    styrene 2289.89
    dioctyl adipate 1955.44
    dimethyl sulfate 1429.88
    ethyl butyrate 3321.42
    methyl lactate 1132.66
    butyl lactate 1780.09
    diethyl carbonate 2149.77
    propanediol butyl ether 1716.98
    triethyl orthoformate 2271.32
    p-tert-butyltoluene 1684.16
    methyl 4-tert-butylbenzoate 1969.05
    morpholine 4747.43
    tert-butylamine 3138.32
    n-dodecanol 1193.3
    dimethoxymethane 2202.98
    ethylene carbonate 3004.29
    cyrene 1271.73
    2-ethoxyethyl acetate 2150.25
    2-ethylhexyl acetate 3084.49
    1,2,4-trichlorobenzene 3968.26
    4-methylpyridine 4713.99
    dibutyl ether 3522.01
    2,6-dimethyl-4-heptanol 1630.67
    DEF 3303.16
    dimethyl isosorbide 2219.45
    tetrachloroethylene 7077.52
    eugenol 1572.18
    triacetin 2283.61
    span 80 1701.11
    1,4-butanediol 1058.74
    1,1-dichloroethane 7197.07
    2-methyl-1-pentanol 2356.92
    methyl formate 1836.54
    2-methyl-1-butanol 2967.44
    n-decane 1142.35
    butyronitrile 4120.61
    3,7-dimethyl-1-octanol 2327.7
    1-chlorooctane 2741.06
    1-chlorotetradecane 1099.04
    n-nonane 1342.27
    undecane 823.7
    tert-butylcyclohexane 1433.08
    cyclooctane 1382.84
    cyclopentanol 4003.33
    tetrahydropyran 6092.79
    tert-amyl methyl ether 2935.71
    2,5,8-trioxanonane 2155.76
    1-hexene 4082.36
    2-isopropoxyethanol 1779.87
    2,2,2-trifluoroethanol 1161.98
    methyl butyrate 3511.3

    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