1,1-Dimethoxy-2-methylpropane

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  • Identifiers

    CAS number
    41632-89-7

    Molecular formula
    C6H14O2

    SMILES
    CC(C)C(OC)OC

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Ethereal 87.0%
    Fruity 84.2%
    Fermented 55.21%
    Alcoholic 51.9%
    Fresh 47.96%
    Green 45.43%
    Apple 39.35%
    Malty 38.01%
    Cognac 36.29%
    Rummy 36.05%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point est.
    5.34 ˚C

  • Synonyms

    • 1,1-DIMETHOXY-2-METHYLPROPANE
    • 41632-89-7
    • Propane, 1,1-dimethoxy-2-methyl-
    • Isobutylaldehyde dimethyl acetal
    • Isobutyraldehyde dimethylacetal
    • DTXSID30194446
    • Propane, 2-methyl, 1,1-dimethoxy
    • SCHEMBL133571
    • DTXCID40116937
    • AS-78288
    • D93459
    • EN300-312358
    • 815-376-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7174.15
    methanol 9771.82
    isopropanol 4583.3
    water 105.44
    ethyl acetate 3671.41
    n-propanol 4961.56
    acetone 3329.27
    n-butanol 4929.41
    acetonitrile 4595.05
    DMF 2240.98
    toluene 1276.99
    isobutanol 3780.64
    1,4-dioxane 4573.03
    methyl acetate 3048.89
    THF 4749.23
    2-butanone 2745.97
    n-pentanol 3148.05
    sec-butanol 4470.68
    n-hexane 1536.34
    ethylene glycol 1466.83
    NMP 2075.36
    cyclohexane 2592.98
    DMSO 2295.7
    n-butyl acetate 3028.59
    n-octanol 1448.16
    chloroform 12139.6
    n-propyl acetate 2167.94
    acetic acid 8923.48
    dichloromethane 9585.5
    cyclohexanone 3814.56
    propylene glycol 1422.32
    isopropyl acetate 2029.37
    DMAc 1818.51
    2-ethoxyethanol 3794.01
    isopentanol 3807.51
    n-heptane 1321.1
    ethyl formate 2972.86
    1,2-dichloroethane 4343.97
    n-hexanol 3118.91
    2-methoxyethanol 5390.95
    isobutyl acetate 1252.11
    tetrachloromethane 5072.5
    n-pentyl acetate 1843.43
    transcutol 4193.58
    n-heptanol 1615.69
    ethylbenzene 814.4
    MIBK 1393.81
    2-propoxyethanol 3310.3
    tert-butanol 5011.76
    MTBE 4117.12
    2-butoxyethanol 2257.69
    propionic acid 3468.01
    o-xylene 929.92
    formic acid 3993.07
    diethyl ether 5339.11
    m-xylene 841.76
    p-xylene 1250.21
    chlorobenzene 1816.35
    dimethyl carbonate 681.88
    n-octane 450.89
    formamide 3293.29
    cyclopentanone 2850.13
    2-pentanone 2526.23
    anisole 1260.1
    cyclopentyl methyl ether 3092.77
    gamma-butyrolactone 3255.04
    1-methoxy-2-propanol 2823.02
    pyridine 2995.25
    3-pentanone 1956.55
    furfural 2850.12
    n-dodecane 209.8
    diethylene glycol 2189.18
    diisopropyl ether 1464.07
    tert-amyl alcohol 4669.15
    acetylacetone 1719.52
    n-hexadecane 231.65
    acetophenone 1071.77
    methyl propionate 2009.67
    isopentyl acetate 2320.48
    trichloroethylene 7882.93
    n-nonanol 1141.54
    cyclohexanol 4481.27
    benzyl alcohol 1246.32
    2-ethylhexanol 2067.11
    isooctanol 1295.46
    dipropyl ether 2618.29
    1,2-dichlorobenzene 1707.51
    ethyl lactate 771.9
    propylene carbonate 2139.83
    n-methylformamide 2514.71
    2-pentanol 3502.24
    n-pentane 1745.41
    1-propoxy-2-propanol 2420.23
    1-methoxy-2-propyl acetate 1476.37
    2-(2-methoxypropoxy) propanol 893.81
    mesitylene 621.3
    ε-caprolactone 3415.76
    p-cymene 902.19
    epichlorohydrin 3948.75
    1,1,1-trichloroethane 5780.18
    2-aminoethanol 2587.33
    morpholine-4-carbaldehyde 2417.95
    sulfolane 2672.21
    2,2,4-trimethylpentane 754.2
    2-methyltetrahydrofuran 4902.44
    n-hexyl acetate 2110.8
    isooctane 461.98
    2-(2-butoxyethoxy)ethanol 1416.76
    sec-butyl acetate 1443.6
    tert-butyl acetate 1899.39
    decalin 660.94
    glycerin 1611.59
    diglyme 3034.18
    acrylic acid 2679.1
    isopropyl myristate 625.01
    n-butyric acid 5420.85
    acetyl acetate 1943.29
    di(2-ethylhexyl) phthalate 474.22
    ethyl propionate 1666.98
    nitromethane 5700.26
    1,2-diethoxyethane 2611.77
    benzonitrile 1738.59
    trioctyl phosphate 438.02
    1-bromopropane 3717.05
    gamma-valerolactone 3345.03
    n-decanol 721.86
    triethyl phosphate 755.54
    4-methyl-2-pentanol 1546.07
    propionitrile 3241.18
    vinylene carbonate 2056.78
    1,1,2-trichlorotrifluoroethane 3802.01
    DMS 887.38
    cumene 647.68
    2-octanol 1184.1
    2-hexanone 1959.16
    octyl acetate 813.93
    limonene 1504.77
    1,2-dimethoxyethane 4391.94
    ethyl orthosilicate 882.11
    tributyl phosphate 557.21
    diacetone alcohol 1777.19
    N,N-dimethylaniline 845.69
    acrylonitrile 2863.59
    aniline 1607.52
    1,3-propanediol 3920.77
    bromobenzene 1915.95
    dibromomethane 7012.74
    1,1,2,2-tetrachloroethane 6074.98
    2-methyl-cyclohexyl acetate 1220.41
    tetrabutyl urea 592.41
    diisobutyl methanol 1155.97
    2-phenylethanol 1236.95
    styrene 983.67
    dioctyl adipate 725.77
    dimethyl sulfate 782.87
    ethyl butyrate 2017.13
    methyl lactate 810.43
    butyl lactate 1093.49
    diethyl carbonate 1256.07
    propanediol butyl ether 1286.64
    triethyl orthoformate 1463.31
    p-tert-butyltoluene 829.91
    methyl 4-tert-butylbenzoate 868.57
    morpholine 5052.96
    tert-butylamine 4073.67
    n-dodecanol 522.16
    dimethoxymethane 2073.45
    ethylene carbonate 1941.16
    cyrene 744.73
    2-ethoxyethyl acetate 1570.14
    2-ethylhexyl acetate 1925.32
    1,2,4-trichlorobenzene 1919.93
    4-methylpyridine 2626.41
    dibutyl ether 1891.34
    2,6-dimethyl-4-heptanol 1155.97
    DEF 2584.98
    dimethyl isosorbide 1377.79
    tetrachloroethylene 5903.52
    eugenol 808.02
    triacetin 1051.96
    span 80 883.44
    1,4-butanediol 1801.32
    1,1-dichloroethane 5118.17
    2-methyl-1-pentanol 2594.98
    methyl formate 2108.95
    2-methyl-1-butanol 3950.34
    n-decane 423.47
    butyronitrile 4024.09
    3,7-dimethyl-1-octanol 1353.41
    1-chlorooctane 1095.06
    1-chlorotetradecane 363.49
    n-nonane 492.56
    undecane 274.43
    tert-butylcyclohexane 669.29
    cyclooctane 826.52
    cyclopentanol 3702.21
    tetrahydropyran 5422.74
    tert-amyl methyl ether 3120.29
    2,5,8-trioxanonane 1363.74
    1-hexene 2481.28
    2-isopropoxyethanol 2399.88
    2,2,2-trifluoroethanol 2708.09
    methyl butyrate 2394.13

    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

Botanical

Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%