Acetaldehyde, dibutyl acetal

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  • Identifiers

    CAS number
    871-22-7

    Molecular formula
    C10H22O2

    SMILES
    CCCCOC(C)OCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 93.84%
    Ethereal 81.01%
    Alcoholic 74.36%
    Cognac 74.05%
    Fruity 65.68%
    Fermented 53.36%
    Apple 49.77%
    Vegetable 48.79%
    Winey 42.44%
    Pungent 38.96%

     

    Flavor
    Fruity 62.99%
    Green 59.81%
    Sweet 58.21%
    Earthy 39.68%
    Fruit 38.29%
    Vegetable 37.42%
    Herbal 31.67%
    Pineapple 30.4%
    Ether 30.03%
    Wine 29.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.01 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 59.6 ˚C est.

  • Synonyms

    • 1-(1-Butoxyethoxy)butane
    • 1,1-Dibutoxyethane
    • 871-22-7
    • Dibutyl acetal
    • Acetaldehyde, dibutyl acetal
    • Di-n-butyl acetal
    • Acetaldehyde dibutyl acetal
    • 1,1-Di-n-butoxyethane
    • Ethane, 1,1-dibutoxy-
    • Butane, 1,1'-[ethylidenebis(oxy)]bis-
    • 1,1'-[Ethylidenebis(oxy)]bis[butane]
    • Butane, 1,1'-(ethylidenebis(oxy))bis-
    • AI3-22404
    • NSC 5314
    • EINECS 212-804-0
    • 1,1'-(Ethylidenebis(oxy))bisbutane
    • BRN 1698922
    • 1,1'-(Ethylidenebis(oxy))dibutane
    • 1,1'-[ETHYLIDENEBIS(OXY)]DIBUTANE
    • DTXSID00236125
    • NSC-5314
    • 6-Methyl-5,7-dioxaundecane
    • Ethane,1-dibutoxy-
    • 1,1-dibutoxy-ethane
    • D39LMG3LCC
    • WLN: 4OYO4
    • 1-(1-butoxy-ethoxy)-butane
    • 1-(1-Butoxyethoxy)butane #
    • SCHEMBL115527
    • DTXCID00158616
    • NSC5314
    • Butane,1'-[ethylidenebis(oxy)]bis-
    • MFCD00129691
    • AKOS006274653
    • BS-53318
    • NS00022850
    • Butane, 1,1'-(ethylidenebis(oxy))bis-(9CI)
    • E78084
    • EN300-7816339
    • Q63399604
    • 212-804-0

  • Applications

    Acetaldehyde, dibutyl acetal is primarily used as a high-boiling solvent and processing aid in coatings, adhesives, inks, and industrial cleaners, supporting resin formulations and pigment dispersion. It also serves as an organic synthesis intermediate, notably as a protecting group for aldehydes and as a building block for other acetal-containing compounds. In polymer and resin formulations, it can function as a reactive solvent or co-solvent to tailor processing properties. It may also serve as a precursor to other specialty chemicals in industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4057.11
    methanol 3297.31
    isopropanol 4194.63
    water 0.9
    ethyl acetate 4725.92
    n-propanol 3787.75
    acetone 4707.02
    n-butanol 4089.21
    acetonitrile 3651.32
    DMF 2622.75
    toluene 2634.29
    isobutanol 3345.77
    1,4-dioxane 6086.79
    methyl acetate 3049.07
    THF 7412.5
    2-butanone 3754.47
    n-pentanol 2943.2
    sec-butanol 4636.58
    n-hexane 4753.86
    ethylene glycol 355.46
    NMP 3335.54
    cyclohexane 7613.1
    DMSO 3498.75
    n-butyl acetate 5820.33
    n-octanol 2188.84
    chloroform 15675.83
    n-propyl acetate 3424.07
    acetic acid 3870.39
    dichloromethane 12184.97
    cyclohexanone 7608.23
    propylene glycol 731.02
    isopropyl acetate 3108.99
    DMAc 2432.68
    2-ethoxyethanol 2231.49
    isopentanol 3681.77
    n-heptane 3380.48
    ethyl formate 2416.09
    1,2-dichloroethane 6241.0
    n-hexanol 4046.43
    2-methoxyethanol 2985.52
    isobutyl acetate 2108.22
    tetrachloromethane 3673.65
    n-pentyl acetate 3382.99
    transcutol 5391.92
    n-heptanol 1789.95
    ethylbenzene 1703.92
    MIBK 2059.93
    2-propoxyethanol 3079.74
    tert-butanol 5364.88
    MTBE 5198.05
    2-butoxyethanol 2015.94
    propionic acid 2903.12
    o-xylene 1622.98
    formic acid 550.3
    diethyl ether 5526.08
    m-xylene 1533.31
    p-xylene 2560.04
    chlorobenzene 3613.84
    dimethyl carbonate 638.61
    n-octane 988.23
    formamide 707.46
    cyclopentanone 5224.83
    2-pentanone 3669.77
    anisole 1957.27
    cyclopentyl methyl ether 4855.55
    gamma-butyrolactone 4869.26
    1-methoxy-2-propanol 2432.94
    pyridine 5709.28
    3-pentanone 2731.92
    furfural 3597.6
    n-dodecane 530.85
    diethylene glycol 1298.2
    diisopropyl ether 1954.45
    tert-amyl alcohol 4933.61
    acetylacetone 2888.32
    n-hexadecane 612.54
    acetophenone 1865.47
    methyl propionate 2350.32
    isopentyl acetate 4218.85
    trichloroethylene 10149.71
    n-nonanol 1875.7
    cyclohexanol 6244.75
    benzyl alcohol 1594.85
    2-ethylhexanol 3265.88
    isooctanol 1558.93
    dipropyl ether 4850.41
    1,2-dichlorobenzene 3063.08
    ethyl lactate 974.9
    propylene carbonate 3173.37
    n-methylformamide 1452.65
    2-pentanol 3582.87
    n-pentane 2987.45
    1-propoxy-2-propanol 3226.6
    1-methoxy-2-propyl acetate 2339.91
    2-(2-methoxypropoxy) propanol 1410.89
    mesitylene 1100.64
    ε-caprolactone 5913.4
    p-cymene 1387.6
    epichlorohydrin 5106.3
    1,1,1-trichloroethane 8356.8
    2-aminoethanol 955.99
    morpholine-4-carbaldehyde 2938.44
    sulfolane 4868.52
    2,2,4-trimethylpentane 973.01
    2-methyltetrahydrofuran 7547.14
    n-hexyl acetate 3971.73
    isooctane 623.15
    2-(2-butoxyethoxy)ethanol 1977.37
    sec-butyl acetate 2336.07
    tert-butyl acetate 2711.26
    decalin 1670.27
    glycerin 728.49
    diglyme 3670.68
    acrylic acid 1922.8
    isopropyl myristate 1484.74
    n-butyric acid 5409.79
    acetyl acetate 2503.45
    di(2-ethylhexyl) phthalate 931.48
    ethyl propionate 2716.11
    nitromethane 3706.01
    1,2-diethoxyethane 3966.19
    benzonitrile 3165.18
    trioctyl phosphate 831.1
    1-bromopropane 6526.83
    gamma-valerolactone 4992.61
    n-decanol 1283.65
    triethyl phosphate 1241.86
    4-methyl-2-pentanol 1716.82
    propionitrile 3577.24
    vinylene carbonate 2691.65
    1,1,2-trichlorotrifluoroethane 3704.3
    DMS 1598.87
    cumene 1176.85
    2-octanol 1720.33
    2-hexanone 3294.24
    octyl acetate 1664.44
    limonene 2677.72
    1,2-dimethoxyethane 4847.65
    ethyl orthosilicate 1374.42
    tributyl phosphate 1158.03
    diacetone alcohol 1998.46
    N,N-dimethylaniline 1413.07
    acrylonitrile 3089.0
    aniline 2526.23
    1,3-propanediol 1699.44
    bromobenzene 4413.03
    dibromomethane 10090.09
    1,1,2,2-tetrachloroethane 9395.44
    2-methyl-cyclohexyl acetate 2300.95
    tetrabutyl urea 1321.23
    diisobutyl methanol 1717.35
    2-phenylethanol 1643.9
    styrene 2200.59
    dioctyl adipate 1805.1
    dimethyl sulfate 960.5
    ethyl butyrate 3752.49
    methyl lactate 860.72
    butyl lactate 1808.04
    diethyl carbonate 2058.72
    propanediol butyl ether 1618.97
    triethyl orthoformate 2612.69
    p-tert-butyltoluene 1293.26
    methyl 4-tert-butylbenzoate 1505.59
    morpholine 7073.06
    tert-butylamine 4709.91
    n-dodecanol 981.74
    dimethoxymethane 1882.69
    ethylene carbonate 2852.47
    cyrene 1025.63
    2-ethoxyethyl acetate 2377.74
    2-ethylhexyl acetate 3689.46
    1,2,4-trichlorobenzene 3337.93
    4-methylpyridine 5400.56
    dibutyl ether 4663.54
    2,6-dimethyl-4-heptanol 1717.35
    DEF 3518.02
    dimethyl isosorbide 2118.55
    tetrachloroethylene 6842.49
    eugenol 1221.0
    triacetin 2212.1
    span 80 1852.49
    1,4-butanediol 783.44
    1,1-dichloroethane 8042.4
    2-methyl-1-pentanol 2665.79
    methyl formate 1073.18
    2-methyl-1-butanol 3511.84
    n-decane 1043.04
    butyronitrile 4775.02
    3,7-dimethyl-1-octanol 2108.89
    1-chlorooctane 2387.38
    1-chlorotetradecane 883.14
    n-nonane 1200.3
    undecane 687.43
    tert-butylcyclohexane 1358.34
    cyclooctane 1823.87
    cyclopentanol 4716.67
    tetrahydropyran 10185.97
    tert-amyl methyl ether 3434.05
    2,5,8-trioxanonane 2163.35
    1-hexene 6529.44
    2-isopropoxyethanol 1848.2
    2,2,2-trifluoroethanol 897.51
    methyl butyrate 4030.39

    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