Acetaldehyde ethyl isobutyl acetal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6986-51-2

    Molecular formula
    C8H18O2

    SMILES
    CCOC(C)OCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 96.2%
    Ethereal 90.08%
    Alcoholic 84.44%
    Cognac 74.62%
    Fermented 65.04%
    Malty 54.16%
    Cocoa 50.25%
    Nutty 46.59%
    Vegetable 46.46%
    Fruity 40.63%

     

    Flavor
    Fruity 58.48%
    Green 56.78%
    Sweet 47.19%
    Ether 41.59%
    Vegetable 36.46%
    Ethereal 35.39%
    Fruit 34.81%
    Earthy 33.55%
    Alcoholic 31.65%
    Pineapple 30.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.41 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Flash point

    • 26.8 ˚C est.

  • Synonyms

    • 1-(1-Ethoxyethoxy)-2-methylpropane
    • 6986-51-2
    • acetaldehyde ethyl isobutyl acetal
    • 1-ethoxy-1-(2-methylpropoxy)ethane
    • Acetaldehyde, ethyl 2-methylpropyl acetal
    • AGI3541J26
    • EINECS 230-251-3
    • Propane, 1-(1-ethoxyethoxy)-2-methyl-
    • FEMA NO. 4528
    • DTXSID90863969
    • 1-ETHOXY-1-ISOBUTOXYETHANE
    • ETHANE, 1-ETHOXY-1-ISOBUTOXY-
    • ACETALDEHYDE, ETHYL ISOBUTYL ACETAL
    • (+/-)-1-ETHOXY-1-ISOBUTOXYETHANE
    • 1-ETHOXY-1-ISOBUTOXYETHANE, (+/-)-
    • Propane,1-(1-ethoxyethoxy)-2-methyl-
    • UNII-AGI3541J26
    • starbld0040989
    • SCHEMBL3505101
    • DTXCID10812535
    • YEKSEJHZJGHKBN-UHFFFAOYSA-N
    • AKOS006294331
    • NS00043395
    • 1-(1-ethoxyethoxy)-2-methylpropane, AldrichCPR
    • Q27273914
    • 230-251-3

  • Applications

    Acetaldehyde ethyl isobutyl acetal is used as a solvent and processing aid in industrial manufacturing. Typical applications include as a solvent for coatings, inks, and adhesive formulations; as a processing solvent or aid in the production of plastics and polymers; as an intermediate in organic synthesis; as an odorant or fragrance fixative in perfumery, with potential for flavor and fragrance applications; and as a solvent in cleaning formulations where a low-polarity solvent is appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3226.26
    methanol 3263.18
    isopropanol 2886.05
    water 10.08
    ethyl acetate 1410.81
    n-propanol 2752.98
    acetone 1467.62
    n-butanol 2852.84
    acetonitrile 1368.68
    DMF 1202.16
    toluene 1038.62
    isobutanol 2310.04
    1,4-dioxane 2709.38
    methyl acetate 1258.29
    THF 2712.84
    2-butanone 1537.72
    n-pentanol 2065.81
    sec-butanol 3145.36
    n-hexane 2066.51
    ethylene glycol 546.01
    NMP 1288.08
    cyclohexane 2204.02
    DMSO 1071.91
    n-butyl acetate 1872.07
    n-octanol 1483.59
    chloroform 6134.51
    n-propyl acetate 1068.79
    acetic acid 2499.52
    dichloromethane 3798.1
    cyclohexanone 2502.81
    propylene glycol 914.82
    isopropyl acetate 1032.94
    DMAc 1381.62
    2-ethoxyethanol 1756.97
    isopentanol 2415.48
    n-heptane 1385.37
    ethyl formate 990.97
    1,2-dichloroethane 1704.3
    n-hexanol 3051.43
    2-methoxyethanol 2245.53
    isobutyl acetate 807.97
    tetrachloromethane 1832.56
    n-pentyl acetate 1186.16
    transcutol 2795.75
    n-heptanol 1250.56
    ethylbenzene 751.86
    MIBK 820.91
    2-propoxyethanol 2310.54
    tert-butanol 3510.18
    MTBE 2948.81
    2-butoxyethanol 1339.55
    propionic acid 1742.83
    o-xylene 776.68
    formic acid 657.48
    diethyl ether 2323.05
    m-xylene 718.1
    p-xylene 1144.11
    chlorobenzene 1166.58
    dimethyl carbonate 267.46
    n-octane 427.65
    formamide 491.2
    cyclopentanone 1639.45
    2-pentanone 1223.27
    anisole 901.52
    cyclopentyl methyl ether 1876.69
    gamma-butyrolactone 1442.66
    1-methoxy-2-propanol 1665.06
    pyridine 1753.03
    3-pentanone 975.74
    furfural 1377.26
    n-dodecane 257.41
    diethylene glycol 1258.03
    diisopropyl ether 853.24
    tert-amyl alcohol 3484.38
    acetylacetone 843.31
    n-hexadecane 280.35
    acetophenone 759.4
    methyl propionate 836.97
    isopentyl acetate 1571.78
    trichloroethylene 3087.87
    n-nonanol 1190.1
    cyclohexanol 3018.4
    benzyl alcohol 896.98
    2-ethylhexanol 1946.94
    isooctanol 996.61
    dipropyl ether 1755.67
    1,2-dichlorobenzene 1029.09
    ethyl lactate 497.62
    propylene carbonate 1074.39
    n-methylformamide 735.73
    2-pentanol 2248.34
    n-pentane 1430.25
    1-propoxy-2-propanol 1778.22
    1-methoxy-2-propyl acetate 963.6
    2-(2-methoxypropoxy) propanol 866.42
    mesitylene 535.38
    ε-caprolactone 2122.1
    p-cymene 654.83
    epichlorohydrin 1704.17
    1,1,1-trichloroethane 2721.46
    2-aminoethanol 1125.01
    morpholine-4-carbaldehyde 1502.63
    sulfolane 1417.36
    2,2,4-trimethylpentane 624.62
    2-methyltetrahydrofuran 3121.71
    n-hexyl acetate 1703.45
    isooctane 376.88
    2-(2-butoxyethoxy)ethanol 1156.91
    sec-butyl acetate 871.37
    tert-butyl acetate 1033.55
    decalin 692.64
    glycerin 932.05
    diglyme 1925.83
    acrylic acid 1193.59
    isopropyl myristate 609.38
    n-butyric acid 2498.35
    acetyl acetate 848.35
    di(2-ethylhexyl) phthalate 476.47
    ethyl propionate 832.99
    nitromethane 1511.53
    1,2-diethoxyethane 1485.35
    benzonitrile 1171.85
    trioctyl phosphate 413.89
    1-bromopropane 2184.94
    gamma-valerolactone 1898.34
    n-decanol 789.25
    triethyl phosphate 503.46
    4-methyl-2-pentanol 1134.84
    propionitrile 1469.97
    vinylene carbonate 960.07
    1,1,2-trichlorotrifluoroethane 1804.86
    DMS 594.37
    cumene 574.59
    2-octanol 1026.08
    2-hexanone 1297.48
    octyl acetate 733.75
    limonene 1178.94
    1,2-dimethoxyethane 2554.08
    ethyl orthosilicate 606.62
    tributyl phosphate 504.87
    diacetone alcohol 1004.22
    N,N-dimethylaniline 711.81
    acrylonitrile 1216.09
    aniline 1093.74
    1,3-propanediol 1593.66
    bromobenzene 1255.12
    dibromomethane 3200.18
    1,1,2,2-tetrachloroethane 3236.49
    2-methyl-cyclohexyl acetate 929.83
    tetrabutyl urea 542.8
    diisobutyl methanol 906.84
    2-phenylethanol 1018.01
    styrene 857.85
    dioctyl adipate 705.49
    dimethyl sulfate 382.5
    ethyl butyrate 1128.88
    methyl lactate 490.38
    butyl lactate 785.39
    diethyl carbonate 674.57
    propanediol butyl ether 1149.76
    triethyl orthoformate 973.51
    p-tert-butyltoluene 637.83
    methyl 4-tert-butylbenzoate 722.03
    morpholine 3085.31
    tert-butylamine 2988.25
    n-dodecanol 598.37
    dimethoxymethane 861.4
    ethylene carbonate 935.4
    cyrene 619.49
    2-ethoxyethyl acetate 920.7
    2-ethylhexyl acetate 1379.56
    1,2,4-trichlorobenzene 1138.33
    4-methylpyridine 1896.88
    dibutyl ether 1613.51
    2,6-dimethyl-4-heptanol 906.84
    DEF 1420.97
    dimethyl isosorbide 1020.14
    tetrachloroethylene 2476.78
    eugenol 648.31
    triacetin 982.88
    span 80 998.49
    1,4-butanediol 829.63
    1,1-dichloroethane 2665.76
    2-methyl-1-pentanol 1926.9
    methyl formate 547.78
    2-methyl-1-butanol 2417.16
    n-decane 486.2
    butyronitrile 1935.04
    3,7-dimethyl-1-octanol 1258.33
    1-chlorooctane 1071.96
    1-chlorotetradecane 407.68
    n-nonane 560.46
    undecane 330.8
    tert-butylcyclohexane 719.37
    cyclooctane 721.18
    cyclopentanol 2355.66
    tetrahydropyran 3931.12
    tert-amyl methyl ether 2116.35
    2,5,8-trioxanonane 1131.5
    1-hexene 2828.46
    2-isopropoxyethanol 1359.5
    2,2,2-trifluoroethanol 630.13
    methyl butyrate 1254.86

    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