1,1-Dimethoxypropane

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  • Identifiers

    CAS number
    4744-10-9

    Molecular formula
    C5H12O2

    SMILES
    CCC(OC)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 86.51%
    Fruity 75.13%
    Alcoholic 53.37%
    Fresh 45.86%
    Fermented 44.51%
    Rummy 42.19%
    Cognac 41.15%
    Brandy 38.3%
    Sharp 35.32%
    Winey 34.97%

     

    Flavor
    Green 60.82%
    Sweet 59.69%
    Ether 49.23%
    Alcoholic 41.51%
    Bitter 39.61%
    Alcohol 38.59%
    Earthy 37.08%
    Vegetable 35.62%
    Ethereal 35.43%
    Fruity 32.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.52 (neutral)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    87°C

    Flash point

    • -5.3 ˚C est.

  • Synonyms

    • 1,1-DIMETHOXYPROPANE
    • Propionaldehyde Dimethyl Acetal
    • 4744-10-9
    • Propanal dimethyl acetal
    • Propane, 1,1-dimethoxy-
    • 3-Ethyl-2,4-dioxapentane
    • Propionaldehyde, dimethyl acetal
    • 1,1--Dimethoxypropane
    • UIOXNNAWANDJCZ-UHFFFAOYSA-
    • DTXSID60197142
    • EINECS 225-258-3
    • AI3-28233
    • MFCD00059307
    • 4VV73VDA7T
    • SCHEMBL26030
    • Propanal dimethyl acetal etal
    • DTXCID70119633
    • NS00044334
    • P0782
    • EN300-98133
    • D87756
    • 225-258-3

  • Applications

    1,1-Dimethoxypropane (CAS 4744-10-9) is widely used as an aldehyde-protecting acetal in organic synthesis by forming an acetal with aldehydes; in addition, it can function as a solvent and reagent in acetalization reactions, serve as an acetaldehyde source upon acidic hydrolysis, and act as a chemical intermediate in the production of organic compounds and pharmaceuticals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3790.74
    methanol 5175.41
    isopropanol 2457.05
    water 65.75
    ethyl acetate 1969.87
    n-propanol 2695.76
    acetone 1845.49
    n-butanol 2614.28
    acetonitrile 2989.47
    DMF 1425.29
    toluene 803.92
    isobutanol 2021.29
    1,4-dioxane 2754.71
    methyl acetate 1782.53
    THF 2944.19
    2-butanone 1705.84
    n-pentanol 1738.27
    sec-butanol 2453.24
    n-hexane 768.27
    ethylene glycol 791.36
    NMP 1475.15
    cyclohexane 1291.69
    DMSO 1699.37
    n-butyl acetate 1425.1
    n-octanol 681.56
    chloroform 7310.92
    n-propyl acetate 1144.9
    acetic acid 5304.65
    dichloromethane 6527.86
    cyclohexanone 2088.29
    propylene glycol 732.08
    isopropyl acetate 966.63
    DMAc 1209.68
    2-ethoxyethanol 2330.89
    isopentanol 2013.17
    n-heptane 584.05
    ethyl formate 1501.67
    1,2-dichloroethane 2712.73
    n-hexanol 1468.73
    2-methoxyethanol 3089.97
    isobutyl acetate 586.99
    tetrachloromethane 2820.35
    n-pentyl acetate 842.66
    transcutol 2568.9
    n-heptanol 738.81
    ethylbenzene 473.28
    MIBK 698.07
    2-propoxyethanol 1749.18
    tert-butanol 2716.05
    MTBE 2220.13
    2-butoxyethanol 1129.89
    propionic acid 2099.89
    o-xylene 545.65
    formic acid 2399.37
    diethyl ether 2944.3
    m-xylene 459.81
    p-xylene 716.3
    chlorobenzene 1169.97
    dimethyl carbonate 321.04
    n-octane 213.35
    formamide 2149.88
    cyclopentanone 1769.61
    2-pentanone 1316.33
    anisole 804.06
    cyclopentyl methyl ether 1741.42
    gamma-butyrolactone 1981.81
    1-methoxy-2-propanol 1607.48
    pyridine 2225.68
    3-pentanone 1079.06
    furfural 1943.99
    n-dodecane 107.87
    diethylene glycol 1207.91
    diisopropyl ether 688.63
    tert-amyl alcohol 2627.36
    acetylacetone 867.48
    n-hexadecane 116.62
    acetophenone 633.57
    methyl propionate 1076.97
    isopentyl acetate 1037.2
    trichloroethylene 4855.28
    n-nonanol 579.8
    cyclohexanol 2294.61
    benzyl alcohol 844.67
    2-ethylhexanol 937.98
    isooctanol 602.93
    dipropyl ether 1213.05
    1,2-dichlorobenzene 1083.69
    ethyl lactate 408.82
    propylene carbonate 1103.71
    n-methylformamide 1534.36
    2-pentanol 1763.64
    n-pentane 814.59
    1-propoxy-2-propanol 1234.86
    1-methoxy-2-propyl acetate 716.2
    2-(2-methoxypropoxy) propanol 546.71
    mesitylene 315.16
    ε-caprolactone 1907.07
    p-cymene 439.6
    epichlorohydrin 2486.09
    1,1,1-trichloroethane 3349.4
    2-aminoethanol 1526.73
    morpholine-4-carbaldehyde 1585.57
    sulfolane 1813.77
    2,2,4-trimethylpentane 362.93
    2-methyltetrahydrofuran 3198.97
    n-hexyl acetate 965.28
    isooctane 197.44
    2-(2-butoxyethoxy)ethanol 833.85
    sec-butyl acetate 726.61
    tert-butyl acetate 864.52
    decalin 328.17
    glycerin 938.99
    diglyme 1683.34
    acrylic acid 1731.54
    isopropyl myristate 323.39
    n-butyric acid 2816.32
    acetyl acetate 1012.34
    di(2-ethylhexyl) phthalate 285.74
    ethyl propionate 877.68
    nitromethane 3362.33
    1,2-diethoxyethane 1438.62
    benzonitrile 1151.57
    trioctyl phosphate 225.35
    1-bromopropane 2420.41
    gamma-valerolactone 2030.81
    n-decanol 387.4
    triethyl phosphate 426.43
    4-methyl-2-pentanol 773.14
    propionitrile 2119.45
    vinylene carbonate 1111.5
    1,1,2-trichlorotrifluoroethane 2170.77
    DMS 488.18
    cumene 374.84
    2-octanol 533.46
    2-hexanone 1008.72
    octyl acetate 411.89
    limonene 745.98
    1,2-dimethoxyethane 2542.25
    ethyl orthosilicate 483.81
    tributyl phosphate 300.45
    diacetone alcohol 864.67
    N,N-dimethylaniline 550.2
    acrylonitrile 1988.24
    aniline 1182.6
    1,3-propanediol 2154.54
    bromobenzene 1189.94
    dibromomethane 4567.19
    1,1,2,2-tetrachloroethane 3585.51
    2-methyl-cyclohexyl acetate 628.56
    tetrabutyl urea 331.41
    diisobutyl methanol 534.16
    2-phenylethanol 722.96
    styrene 614.08
    dioctyl adipate 426.16
    dimethyl sulfate 416.05
    ethyl butyrate 996.91
    methyl lactate 442.39
    butyl lactate 526.26
    diethyl carbonate 625.23
    propanediol butyl ether 639.28
    triethyl orthoformate 702.24
    p-tert-butyltoluene 414.55
    methyl 4-tert-butylbenzoate 523.85
    morpholine 3208.92
    tert-butylamine 2191.28
    n-dodecanol 287.06
    dimethoxymethane 1188.61
    ethylene carbonate 969.97
    cyrene 508.53
    2-ethoxyethyl acetate 809.5
    2-ethylhexyl acetate 865.8
    1,2,4-trichlorobenzene 1220.65
    4-methylpyridine 1762.88
    dibutyl ether 938.16
    2,6-dimethyl-4-heptanol 534.16
    DEF 1553.8
    dimethyl isosorbide 833.26
    tetrachloroethylene 3430.9
    eugenol 526.67
    triacetin 638.65
    span 80 536.52
    1,4-butanediol 973.41
    1,1-dichloroethane 3240.45
    2-methyl-1-pentanol 1485.74
    methyl formate 1096.72
    2-methyl-1-butanol 2173.84
    n-decane 205.38
    butyronitrile 2472.92
    3,7-dimethyl-1-octanol 691.89
    1-chlorooctane 532.6
    1-chlorotetradecane 198.93
    n-nonane 235.29
    undecane 136.97
    tert-butylcyclohexane 326.8
    cyclooctane 381.09
    cyclopentanol 2092.55
    tetrahydropyran 3309.15
    tert-amyl methyl ether 1738.17
    2,5,8-trioxanonane 874.57
    1-hexene 1390.14
    2-isopropoxyethanol 1372.98
    2,2,2-trifluoroethanol 1511.72
    methyl butyrate 1271.4

    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