2-Butene, 1,1-diethoxy-

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  • Identifiers

    CAS number
    63511-92-2

    Molecular formula
    C8H16O2

    SMILES
    CCOC(/C=C/C)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 87.87%
    Ethereal 61.59%
    Green 59.9%
    Pungent 52.73%
    Herbal 46.8%
    Sharp 44.78%
    Apple 44.5%
    Fresh 41.07%
    Alcoholic 31.55%
    Rummy 31.07%

     

    Flavor
    Fruity 57.9%
    Green 51.6%
    Vegetable 40.2%
    Earthy 35.23%
    Ethereal 34.35%
    Tropical 30.64%
    Fruit 28.47%
    Fatty 28.38%
    Sweet 26.75%
    Tomato 24.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.2 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 31.05 ˚C est.

  • Synonyms

    • trans-2-Butenal diethyl acetal
    • 63511-92-2
    • 2-Butene, 1,1-diethoxy-
    • (E)-1,1-diethoxybut-2-ene
    • 10602-34-3
    • (2E)-1,1-diethoxybut-2-ene
    • crotonaldehyde diethyl acetal
    • ZUMISMXLQDKQDS-QPJJXVBHSA-
    • NSC219876
    • starbld0003752
    • SCHEMBL2025291
    • SCHEMBL2025292
    • TRANS-2-BUTENALDIETHYLACETAL
    • NSC506646
    • NSC-219876
    • NSC-506646
    • AS-76693
    • DB-321760
    • trans-2-Butenal diethyl acetal, technical, 90%
    • 626-521-9

  • Applications

    2-Butene, 1,1-diethoxy- (CAS 63511-92-2) is primarily used as an intermediate in organic synthesis, serving as a building block for specialty chemicals and polymer precursors. It often functions as an acetals protecting group for aldehyde functionality in multi-step syntheses, helping to stabilize reactive groups. In coating, ink, and adhesive formulations, it can act as a monomer precursor or reactive diluent contributing to resin networks. It can also serve as a solvent or co-solvent in processing and formulation steps. In pharmaceutical and other high-value chemical sectors, it is used as a synthetic intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 950.89
    methanol 960.08
    isopropanol 914.68
    water 2.46
    ethyl acetate 931.87
    n-propanol 976.48
    acetone 1173.52
    n-butanol 943.75
    acetonitrile 1281.0
    DMF 1256.0
    toluene 870.03
    isobutanol 854.2
    1,4-dioxane 1554.41
    methyl acetate 920.85
    THF 2024.67
    2-butanone 1005.15
    n-pentanol 731.28
    sec-butanol 1153.32
    n-hexane 919.71
    ethylene glycol 227.28
    NMP 1610.26
    cyclohexane 1654.87
    DMSO 1408.58
    n-butyl acetate 1114.52
    n-octanol 760.09
    chloroform 5942.25
    n-propyl acetate 741.72
    acetic acid 1475.01
    dichloromethane 5215.65
    cyclohexanone 1914.17
    propylene glycol 370.29
    isopropyl acetate 548.51
    DMAc 1173.03
    2-ethoxyethanol 675.39
    isopentanol 709.6
    n-heptane 865.9
    ethyl formate 745.95
    1,2-dichloroethane 2287.72
    n-hexanol 1003.25
    2-methoxyethanol 937.38
    isobutyl acetate 494.74
    tetrachloromethane 1404.43
    n-pentyl acetate 744.43
    transcutol 1349.95
    n-heptanol 541.75
    ethylbenzene 643.83
    MIBK 454.46
    2-propoxyethanol 823.99
    tert-butanol 1131.09
    MTBE 884.28
    2-butoxyethanol 557.14
    propionic acid 1021.29
    o-xylene 615.69
    formic acid 277.21
    diethyl ether 1028.13
    m-xylene 519.27
    p-xylene 904.77
    chlorobenzene 1530.7
    dimethyl carbonate 336.04
    n-octane 311.66
    formamide 352.36
    cyclopentanone 1747.53
    2-pentanone 795.65
    anisole 768.06
    cyclopentyl methyl ether 1183.08
    gamma-butyrolactone 1863.94
    1-methoxy-2-propanol 768.11
    pyridine 1948.74
    3-pentanone 775.54
    furfural 1659.37
    n-dodecane 229.32
    diethylene glycol 516.13
    diisopropyl ether 361.2
    tert-amyl alcohol 1169.82
    acetylacetone 762.1
    n-hexadecane 249.43
    acetophenone 780.91
    methyl propionate 753.94
    isopentyl acetate 813.94
    trichloroethylene 4140.88
    n-nonanol 637.53
    cyclohexanol 1460.28
    benzyl alcohol 665.65
    2-ethylhexanol 813.8
    isooctanol 459.34
    dipropyl ether 1055.77
    1,2-dichlorobenzene 1449.25
    ethyl lactate 407.88
    propylene carbonate 1243.85
    n-methylformamide 663.62
    2-pentanol 744.59
    n-pentane 681.18
    1-propoxy-2-propanol 771.97
    1-methoxy-2-propyl acetate 611.46
    2-(2-methoxypropoxy) propanol 562.85
    mesitylene 386.98
    ε-caprolactone 1544.17
    p-cymene 532.84
    epichlorohydrin 1900.92
    1,1,1-trichloroethane 2752.0
    2-aminoethanol 449.16
    morpholine-4-carbaldehyde 1148.37
    sulfolane 2359.36
    2,2,4-trimethylpentane 299.4
    2-methyltetrahydrofuran 1816.14
    n-hexyl acetate 1165.02
    isooctane 178.7
    2-(2-butoxyethoxy)ethanol 653.78
    sec-butyl acetate 475.64
    tert-butyl acetate 529.08
    decalin 521.58
    glycerin 412.02
    diglyme 1207.95
    acrylic acid 892.2
    isopropyl myristate 529.4
    n-butyric acid 1193.63
    acetyl acetate 667.61
    di(2-ethylhexyl) phthalate 422.89
    ethyl propionate 692.59
    nitromethane 1477.09
    1,2-diethoxyethane 793.48
    benzonitrile 1177.01
    trioctyl phosphate 361.37
    1-bromopropane 2016.23
    gamma-valerolactone 1551.76
    n-decanol 477.05
    triethyl phosphate 498.23
    4-methyl-2-pentanol 375.14
    propionitrile 1119.75
    vinylene carbonate 1235.08
    1,1,2-trichlorotrifluoroethane 1539.59
    DMS 670.53
    cumene 457.19
    2-octanol 538.12
    2-hexanone 763.18
    octyl acetate 658.48
    limonene 871.33
    1,2-dimethoxyethane 1288.37
    ethyl orthosilicate 456.71
    tributyl phosphate 457.99
    diacetone alcohol 529.41
    N,N-dimethylaniline 638.71
    acrylonitrile 1197.62
    aniline 846.82
    1,3-propanediol 570.29
    bromobenzene 1827.89
    dibromomethane 4036.02
    1,1,2,2-tetrachloroethane 3636.39
    2-methyl-cyclohexyl acetate 741.56
    tetrabutyl urea 574.71
    diisobutyl methanol 438.94
    2-phenylethanol 655.97
    styrene 848.33
    dioctyl adipate 755.09
    dimethyl sulfate 583.45
    ethyl butyrate 897.48
    methyl lactate 427.09
    butyl lactate 527.71
    diethyl carbonate 709.98
    propanediol butyl ether 560.54
    triethyl orthoformate 672.45
    p-tert-butyltoluene 489.85
    methyl 4-tert-butylbenzoate 701.49
    morpholine 1566.24
    tert-butylamine 1016.63
    n-dodecanol 395.54
    dimethoxymethane 737.51
    ethylene carbonate 964.19
    cyrene 535.9
    2-ethoxyethyl acetate 622.98
    2-ethylhexyl acetate 752.73
    1,2,4-trichlorobenzene 1593.99
    4-methylpyridine 1723.16
    dibutyl ether 1041.75
    2,6-dimethyl-4-heptanol 438.94
    DEF 981.54
    dimethyl isosorbide 920.68
    tetrachloroethylene 2463.89
    eugenol 592.66
    triacetin 875.83
    span 80 693.63
    1,4-butanediol 342.55
    1,1-dichloroethane 2608.19
    2-methyl-1-pentanol 665.11
    methyl formate 587.14
    2-methyl-1-butanol 806.53
    n-decane 367.83
    butyronitrile 1216.25
    3,7-dimethyl-1-octanol 649.23
    1-chlorooctane 853.77
    1-chlorotetradecane 380.63
    n-nonane 426.18
    undecane 269.51
    tert-butylcyclohexane 429.07
    cyclooctane 500.99
    cyclopentanol 1495.04
    tetrahydropyran 2055.65
    tert-amyl methyl ether 750.89
    2,5,8-trioxanonane 878.73
    1-hexene 1361.08
    2-isopropoxyethanol 501.91
    2,2,2-trifluoroethanol 382.12
    methyl butyrate 990.37

    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