Propane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    4744-08-5

    Molecular formula
    C7H16O2

    SMILES
    CCC(OCC)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 88.62%
    Fruity 73.11%
    Green 67.85%
    Alcoholic 67.53%
    Cognac 61.77%
    Fermented 48.85%
    Pungent 43.57%
    Brandy 40.69%
    Apple 38.45%
    Nutty 38.08%

     

    Flavor
    Sweet 73.36%
    Green 65.27%
    Vegetable 49.36%
    Ether 48.66%
    Earthy 48.19%
    Fruit 44.49%
    Alcoholic 37.28%
    Alcohol 36.55%
    Fruity 35.04%
    Ethereal 32.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.44 (weak base)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    123°C

    Flash point

    • 13.73 ˚C est.

  • Synonyms

    • Propionaldehyde diethyl acetal
    • 1,1-DIETHOXYPROPANE
    • 4744-08-5
    • Propane, 1,1-diethoxy-
    • Propanaldiethylacetal
    • Propionaldehyde, diethyl acetal
    • Propanal diethyl acetal
    • Diethyl propional
    • 944H8XF5QD
    • DTXSID8063593
    • EINECS 225-257-8
    • NSC 227930
    • NSC-227930
    • 1,1-Diethoxypropane; NSC 227930; Propanal Diethylacetal; Propionaldehyde Ethyl Acetal
    • MFCD00009245
    • Propane,1-diethoxy-
    • 1,1-diethoxy-propane
    • propioaldehyde diethylacetal
    • propionaldehyde diethylacetal
    • Propioaldehyde diethyl acetal
    • UNII-944H8XF5QD
    • SCHEMBL25094
    • propion-aldehyde-diethyl-acetal
    • DTXCID8040567
    • NSC227930
    • Propionaldehyde diethyl acetal, 97%
    • AKOS028108400
    • Propionaldehyde, diethyl acetal (8CI)
    • DB-051450
    • NS00044333
    • P0781
    • EN300-80058
    • D97857
    • Q63409602
    • 225-257-8

  • Applications

    Propane, 1,1-diethoxy- (CAS 4744-08-5) is mainly used as an acetal protecting group for aldehydes in multi-step organic syntheses, enabling selective transformations by masking carbonyl reactivity and then hydrolyzing under acidic conditions to regenerate the aldehyde. It also serves as an intermediate for preparing acetaldehyde-derived acetals and other carbonyl-building blocks, and can function as a specialty organic solvent or co-solvent in chemical manufacturing and laboratory work. As a chemical precursor, it supports protection–deprotection strategies in pharmaceutical and fine-chemical production. In coatings, inks, and related processing applications, it may serve as a solvent or processing aid where its volatility and polarity are appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2741.6
    methanol 3346.57
    isopropanol 2449.73
    water 11.04
    ethyl acetate 2805.77
    n-propanol 2727.35
    acetone 3007.1
    n-butanol 2581.74
    acetonitrile 3878.26
    DMF 2917.84
    toluene 2076.65
    isobutanol 2377.34
    1,4-dioxane 4117.13
    methyl acetate 2637.62
    THF 4764.06
    2-butanone 2913.08
    n-pentanol 1974.52
    sec-butanol 2971.23
    n-hexane 2247.9
    ethylene glycol 630.5
    NMP 3559.9
    cyclohexane 3238.95
    DMSO 2957.17
    n-butyl acetate 3214.91
    n-octanol 1853.55
    chloroform 13330.3
    n-propyl acetate 2247.39
    acetic acid 3666.26
    dichloromethane 13536.88
    cyclohexanone 4862.81
    propylene glycol 819.59
    isopropyl acetate 1646.58
    DMAc 2878.12
    2-ethoxyethanol 1987.64
    isopentanol 2051.19
    n-heptane 2055.97
    ethyl formate 2095.12
    1,2-dichloroethane 5857.43
    n-hexanol 2473.82
    2-methoxyethanol 2600.6
    isobutyl acetate 1431.94
    tetrachloromethane 3782.84
    n-pentyl acetate 2057.47
    transcutol 3310.37
    n-heptanol 1428.27
    ethylbenzene 1586.32
    MIBK 1312.48
    2-propoxyethanol 2212.11
    tert-butanol 2843.01
    MTBE 2755.3
    2-butoxyethanol 1560.71
    propionic acid 2657.83
    o-xylene 1524.0
    formic acid 921.73
    diethyl ether 3150.01
    m-xylene 1237.78
    p-xylene 2398.33
    chlorobenzene 3441.55
    dimethyl carbonate 783.85
    n-octane 743.22
    formamide 1038.94
    cyclopentanone 4027.28
    2-pentanone 2189.15
    anisole 2072.54
    cyclopentyl methyl ether 2996.01
    gamma-butyrolactone 4209.97
    1-methoxy-2-propanol 1934.35
    pyridine 4402.76
    3-pentanone 2225.77
    furfural 3927.29
    n-dodecane 478.94
    diethylene glycol 1227.96
    diisopropyl ether 1132.39
    tert-amyl alcohol 3030.18
    acetylacetone 2003.08
    n-hexadecane 526.39
    acetophenone 1886.65
    methyl propionate 2017.93
    isopentyl acetate 2341.93
    trichloroethylene 9840.77
    n-nonanol 1498.46
    cyclohexanol 3350.62
    benzyl alcohol 1604.94
    2-ethylhexanol 2137.07
    isooctanol 1156.43
    dipropyl ether 3045.26
    1,2-dichlorobenzene 3219.85
    ethyl lactate 906.01
    propylene carbonate 2742.13
    n-methylformamide 1824.33
    2-pentanol 2006.73
    n-pentane 1595.53
    1-propoxy-2-propanol 1930.98
    1-methoxy-2-propyl acetate 1548.81
    2-(2-methoxypropoxy) propanol 1241.97
    mesitylene 926.57
    ε-caprolactone 4071.59
    p-cymene 1342.33
    epichlorohydrin 4779.0
    1,1,1-trichloroethane 6393.79
    2-aminoethanol 1181.22
    morpholine-4-carbaldehyde 2954.76
    sulfolane 4583.69
    2,2,4-trimethylpentane 771.48
    2-methyltetrahydrofuran 4956.99
    n-hexyl acetate 2846.23
    isooctane 435.17
    2-(2-butoxyethoxy)ethanol 1448.39
    sec-butyl acetate 1437.83
    tert-butyl acetate 1532.56
    decalin 1177.81
    glycerin 930.89
    diglyme 3120.47
    acrylic acid 2205.06
    isopropyl myristate 1154.5
    n-butyric acid 3073.08
    acetyl acetate 1772.48
    di(2-ethylhexyl) phthalate 870.46
    ethyl propionate 1949.25
    nitromethane 3937.33
    1,2-diethoxyethane 2383.99
    benzonitrile 2848.35
    trioctyl phosphate 742.12
    1-bromopropane 4935.0
    gamma-valerolactone 4059.67
    n-decanol 1024.39
    triethyl phosphate 1095.05
    4-methyl-2-pentanol 1026.92
    propionitrile 3358.06
    vinylene carbonate 2795.71
    1,1,2-trichlorotrifluoroethane 3534.19
    DMS 1532.86
    cumene 1126.29
    2-octanol 1349.86
    2-hexanone 2186.59
    octyl acetate 1369.13
    limonene 2166.26
    1,2-dimethoxyethane 4063.7
    ethyl orthosilicate 1065.21
    tributyl phosphate 978.94
    diacetone alcohol 1331.19
    N,N-dimethylaniline 1563.39
    acrylonitrile 3361.05
    aniline 2080.18
    1,3-propanediol 1549.54
    bromobenzene 4045.18
    dibromomethane 9739.93
    1,1,2,2-tetrachloroethane 8067.63
    2-methyl-cyclohexyl acetate 1683.41
    tetrabutyl urea 1170.06
    diisobutyl methanol 1104.8
    2-phenylethanol 1560.99
    styrene 2123.32
    dioctyl adipate 1532.61
    dimethyl sulfate 1202.94
    ethyl butyrate 2515.94
    methyl lactate 962.77
    butyl lactate 1258.43
    diethyl carbonate 1674.86
    propanediol butyl ether 1237.59
    triethyl orthoformate 1710.12
    p-tert-butyltoluene 1185.75
    methyl 4-tert-butylbenzoate 1512.8
    morpholine 4240.62
    tert-butylamine 2505.21
    n-dodecanol 816.1
    dimethoxymethane 1884.77
    ethylene carbonate 2404.59
    cyrene 1063.29
    2-ethoxyethyl acetate 1685.75
    2-ethylhexyl acetate 2134.37
    1,2,4-trichlorobenzene 3616.19
    4-methylpyridine 4411.85
    dibutyl ether 2851.91
    2,6-dimethyl-4-heptanol 1104.8
    DEF 2876.76
    dimethyl isosorbide 1937.86
    tetrachloroethylene 6040.06
    eugenol 1277.06
    triacetin 1934.37
    span 80 1377.8
    1,4-butanediol 880.32
    1,1-dichloroethane 6255.63
    2-methyl-1-pentanol 1807.06
    methyl formate 1539.44
    2-methyl-1-butanol 2273.19
    n-decane 830.41
    butyronitrile 3581.36
    3,7-dimethyl-1-octanol 1628.94
    1-chlorooctane 2018.72
    1-chlorotetradecane 765.59
    n-nonane 964.4
    undecane 591.5
    tert-butylcyclohexane 1032.51
    cyclooctane 1072.41
    cyclopentanol 3409.06
    tetrahydropyran 5253.82
    tert-amyl methyl ether 2286.37
    2,5,8-trioxanonane 1906.44
    1-hexene 3550.12
    2-isopropoxyethanol 1473.54
    2,2,2-trifluoroethanol 986.02
    methyl butyrate 2809.72

    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