Acetaldehyde di-isobutylacetal

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  • Identifiers

    CAS number
    5669-09-0

    Molecular formula
    C10H22O2

    SMILES
    CC(C)COC(C)OCC(C)C

  • Odor profile

    Fragrance
    Green 96.41%
    Alcoholic 85.57%
    Ethereal 84.9%
    Fermented 73.71%
    Cognac 67.13%
    Malty 62.04%
    Cocoa 61.04%
    Vegetable 36.02%
    Nutty 33.95%
    Apple 27.92%

     

    Flavor
    Fruity 61.38%
    Green 52.04%
    Tropical 33.39%
    Ethereal 30.28%
    Sweet 26.77%
    Vegetable 26.58%
    Pineapple 26.33%
    Ether 26.1%
    Alcoholic 24.92%
    Fermented 24.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.66 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 49.94 ˚C est.

  • Synonyms

    • Acetaldehyde di-isobutylacetal
    • 5669-09-0
    • Acetaldehyde, diisobutyl acetal
    • 1,1-diisobutoxyethane
    • 2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane
    • acetaldehyde diisobutylacetal
    • 1,1'-[ethylidenebis(oxy)]bis[2-methylpropane]
    • EINECS 227-129-7
    • 1K100428BB
    • Acetaldehyde di(2-methylpropyl) acetal
    • Propane, 1,1'-[ethylidenebis(oxy)]bis[2-methyl-
    • AI3-22521
    • FEMA NO. 4527
    • DTXSID70205247
    • 1,1'-(Ethylidenebis(oxy))bis(2-methylpropane)
    • ETHANE, 1,1-DIISOBUTOXY-
    • Propane, 1,1'-(ethylidenebis(oxy))bis(2-methyl-
    • 1-(1-Isobutoxyethoxy)-2-methylpropane
    • acetaldehyde diisobutyl acetal
    • Diisobutyl acetal
    • UNII-1K100428BB
    • starbld0045054
    • ethanediol diisobutyl ether
    • Ethane, 1,1-diisobutyloxy
    • SCHEMBL1572578
    • KIELJSVPUISYCI-UHFFFAOYSA-
    • DTXCID70127738
    • 2,5,8-Trimethyl-4,6-dioxanonane
    • AKOS006294332
    • 1-(1-Isobutoxyethoxy)-2-methylpropane #
    • NS00022396
    • Propane, 1,1'-[ethylidenebis(oxy)]bis*2-methyl-
    • 1-(1-isobutoxyethoxy)-2-methylpropane, AldrichCPR
    • Q27252515
    • InChI=1/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3
    • 227-129-7

  • Applications

    1,1-Diisobutoxyethane (CAS 5669-09-0) is a linear acetal with high chemical inertness, a high boiling point and a faint fruity odour, widely employed as a specialty solvent for paints, printing inks, UV-curable coatings and epoxy resins where it moderates evaporation rate, enhances gloss and improves adhesion; in organic synthesis it serves as a carbonyl-protecting agent and acetal-forming reagent for the preparation of pharmaceuticals, flavours and crop-protection chemicals, stabilising aldehyde or ketone intermediates under acidic or basic conditions; the fragrance and flavour industry exploits its mild scent and good solubilising power to build fruity and floral notes in personal-care and cosmetic formulations; in the oil and gas sector its paraffin-solvating ability and low viscosity make it useful in fuel and well-treatment additives that improve low-temperature flow; in electronics, 1,1-Diisobutoxyethane appears in controlled-volatility board-cleaning blends that leave minimal residue and are compatible with sensitive polymers; it is also under study as a co-solvent in lithium-ion battery electrolytes to widen the electrochemical window and reduce flammability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 533.12
    methanol 441.49
    isopropanol 588.13
    water 0.97
    ethyl acetate 599.58
    n-propanol 539.21
    acetone 579.29
    n-butanol 646.68
    acetonitrile 360.84
    DMF 510.65
    toluene 530.63
    isobutanol 559.98
    1,4-dioxane 939.98
    methyl acetate 530.46
    THF 1313.48
    2-butanone 638.91
    n-pentanol 554.73
    sec-butanol 746.53
    n-hexane 798.35
    ethylene glycol 91.31
    NMP 661.72
    cyclohexane 939.83
    DMSO 444.32
    n-butyl acetate 1131.88
    n-octanol 704.51
    chloroform 3031.34
    n-propyl acetate 591.05
    acetic acid 545.34
    dichloromethane 1832.4
    cyclohexanone 1161.13
    propylene glycol 206.29
    isopropyl acetate 543.34
    DMAc 662.7
    2-ethoxyethanol 520.07
    isopentanol 723.19
    n-heptane 803.1
    ethyl formate 417.0
    1,2-dichloroethane 972.76
    n-hexanol 1015.75
    2-methoxyethanol 606.85
    isobutyl acetate 519.09
    tetrachloromethane 838.91
    n-pentyl acetate 754.13
    transcutol 1310.24
    n-heptanol 611.01
    ethylbenzene 504.23
    MIBK 479.29
    2-propoxyethanol 856.31
    tert-butanol 927.9
    MTBE 1066.53
    2-butoxyethanol 679.49
    propionic acid 463.39
    o-xylene 480.01
    formic acid 119.08
    diethyl ether 703.51
    m-xylene 457.89
    p-xylene 762.41
    chlorobenzene 641.62
    dimethyl carbonate 160.62
    n-octane 326.96
    formamide 109.76
    cyclopentanone 909.31
    2-pentanone 553.39
    anisole 539.0
    cyclopentyl methyl ether 890.11
    gamma-butyrolactone 864.3
    1-methoxy-2-propanol 569.67
    pyridine 698.38
    3-pentanone 459.05
    furfural 808.4
    n-dodecane 214.56
    diethylene glycol 410.2
    diisopropyl ether 454.1
    tert-amyl alcohol 1017.04
    acetylacetone 533.22
    n-hexadecane 236.17
    acetophenone 546.08
    methyl propionate 394.98
    isopentyl acetate 1165.06
    trichloroethylene 1788.74
    n-nonanol 633.05
    cyclohexanol 950.75
    benzyl alcohol 445.75
    2-ethylhexanol 951.7
    isooctanol 553.7
    dipropyl ether 987.15
    1,2-dichlorobenzene 692.19
    ethyl lactate 308.1
    propylene carbonate 757.16
    n-methylformamide 239.21
    2-pentanol 613.37
    n-pentane 458.21
    1-propoxy-2-propanol 881.69
    1-methoxy-2-propyl acetate 697.18
    2-(2-methoxypropoxy) propanol 586.53
    mesitylene 381.64
    ε-caprolactone 1080.5
    p-cymene 555.7
    epichlorohydrin 1005.13
    1,1,1-trichloroethane 1612.25
    2-aminoethanol 207.64
    morpholine-4-carbaldehyde 709.95
    sulfolane 925.35
    2,2,4-trimethylpentane 303.69
    2-methyltetrahydrofuran 1307.82
    n-hexyl acetate 1035.92
    isooctane 223.11
    2-(2-butoxyethoxy)ethanol 700.94
    sec-butyl acetate 530.92
    tert-butyl acetate 662.34
    decalin 486.02
    glycerin 232.73
    diglyme 1111.73
    acrylic acid 353.62
    isopropyl myristate 518.57
    n-butyric acid 792.06
    acetyl acetate 463.22
    di(2-ethylhexyl) phthalate 371.88
    ethyl propionate 508.22
    nitromethane 487.86
    1,2-diethoxyethane 845.65
    benzonitrile 636.17
    trioctyl phosphate 345.47
    1-bromopropane 999.2
    gamma-valerolactone 1047.62
    n-decanol 470.05
    triethyl phosphate 435.96
    4-methyl-2-pentanol 446.8
    propionitrile 470.26
    vinylene carbonate 614.72
    1,1,2-trichlorotrifluoroethane 867.17
    DMS 466.31
    cumene 433.82
    2-octanol 548.85
    2-hexanone 681.57
    octyl acetate 596.03
    limonene 863.96
    1,2-dimethoxyethane 1042.51
    ethyl orthosilicate 480.69
    tributyl phosphate 432.43
    diacetone alcohol 591.92
    N,N-dimethylaniline 484.6
    acrylonitrile 425.78
    aniline 424.19
    1,3-propanediol 359.27
    bromobenzene 770.66
    dibromomethane 1588.34
    1,1,2,2-tetrachloroethane 1971.95
    2-methyl-cyclohexyl acetate 777.02
    tetrabutyl urea 473.93
    diisobutyl methanol 622.79
    2-phenylethanol 564.01
    styrene 500.95
    dioctyl adipate 625.64
    dimethyl sulfate 246.64
    ethyl butyrate 812.98
    methyl lactate 251.19
    butyl lactate 553.73
    diethyl carbonate 545.94
    propanediol butyl ether 585.13
    triethyl orthoformate 712.25
    p-tert-butyltoluene 553.14
    methyl 4-tert-butylbenzoate 611.02
    morpholine 991.29
    tert-butylamine 796.31
    n-dodecanol 384.98
    dimethoxymethane 392.15
    ethylene carbonate 564.69
    cyrene 429.38
    2-ethoxyethyl acetate 623.62
    2-ethylhexyl acetate 1020.43
    1,2,4-trichlorobenzene 811.58
    4-methylpyridine 891.92
    dibutyl ether 1018.96
    2,6-dimethyl-4-heptanol 622.79
    DEF 606.15
    dimethyl isosorbide 853.73
    tetrachloroethylene 1337.66
    eugenol 517.0
    triacetin 694.61
    span 80 687.66
    1,4-butanediol 229.79
    1,1-dichloroethane 1317.01
    2-methyl-1-pentanol 600.62
    methyl formate 219.8
    2-methyl-1-butanol 646.0
    n-decane 348.66
    butyronitrile 677.89
    3,7-dimethyl-1-octanol 756.53
    1-chlorooctane 713.55
    1-chlorotetradecane 336.93
    n-nonane 390.77
    undecane 256.4
    tert-butylcyclohexane 488.27
    cyclooctane 419.39
    cyclopentanol 784.85
    tetrahydropyran 1278.64
    tert-amyl methyl ether 855.08
    2,5,8-trioxanonane 743.04
    1-hexene 1012.94
    2-isopropoxyethanol 500.67
    2,2,2-trifluoroethanol 199.33
    methyl butyrate 723.62

    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