Acrolein diethylacetal

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  • Identifiers

    CAS number
    3054-95-3

    Molecular formula
    C7H14O2

    SMILES
    CCOC(C=C)OCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 85.13%
    Green 65.03%
    Ethereal 62.87%
    Pungent 57.05%
    Fresh 48.36%
    Sharp 47.93%
    Herbal 38.52%
    Apple 36.35%
    Rummy 31.4%
    Earthy 29.12%

     

    Flavor
    Fruity 53.34%
    Green 45.81%
    Vegetable 42.12%
    Earthy 37.11%
    Fatty 32.61%
    Ethereal 31.64%
    Nutty 31.15%
    Tropical 28.45%
    Musty 27.4%
    Fruit 26.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.03 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    126°C

    Flash point

    • 11.95 ˚C est.

  • Synonyms

    • Acrolein diethyl acetal
    • 3054-95-3
    • Acrolein diethylacetal
    • Acrolein acetal
    • 1-PROPENE, 3,3-DIETHOXY-
    • 3,3-Diethoxy-1-propene
    • 3,3-diethoxyprop-1-ene
    • Acrolein, diethyl acetal
    • 3,3-Diethoxypropene
    • 1,1-Diethoxy-2-propene
    • Propenal diethyl acetal
    • Acrylaldehyde diethyl acetal
    • 2-Propenal diethyl acetal
    • Acrolein, diethylacetal
    • CCRIS 3496
    • EINECS 221-276-0
    • NSC 60135
    • UN2374
    • BRN 1701567
    • DTXSID0020024
    • 3,3-diethoxy-propene
    • UNII-33XN703369
    • NSC-60135
    • ACROLEIN DIETHYLACETYL
    • DTXCID0024
    • 4-01-00-03437 (Beilstein Handbook Reference)
    • MFCD00009239
    • UN 2374
    • 33XN703369
    • 3,3-bis(ethyloxy)prop-1-ene
    • 3,3Diethoxypropene
    • acrolein-diethylacetal
    • 1,1Diethoxy2propene
    • 3,3Diethoxy1propene
    • Acroleine dietylacetal
    • Propene, 3,3diethoxy
    • 2Propenal diethyl acetal
    • 1-Propene,3-diethoxy-
    • 1Propene, 3,3diethoxy
    • 3,3-diethoxy-prop-1-ene
    • SCHEMBL35990
    • Acrolein diethyl acetal, 96%
    • 3,3-bis(ethyloxy)-1-propene
    • CHEMBL3182978
    • PROPENE, 3,3-DIETHOXY-
    • NSC60135
    • 1-Propene, 3,3-diethoxy-(9CI)
    • Tox21_200229
    • BBL027746
    • STL373482
    • AKOS009157999
    • NCGC00248571-01
    • NCGC00257783-01
    • MS-20564
    • CAS-3054-95-3
    • DB-047802
    • A0640
    • NS00022023
    • EN300-50204
    • F20955
    • A820430
    • 3,3-Diethoxypropene [UN2374] [Flammable liquid]
    • Q27256306
    • F0001-0938

  • Applications

    Acrolein diethyl acetal (CAS 3054-95-3) is primarily used as an aldehyde-protecting group in organic synthesis, enabling selective reaction sequences by masking the aldehyde functionality. The vinyl substituent allows it to undergo radical polymerization, making it useful as a monomer or reactive building block for specialty polymers and coatings. It may also serve as an intermediate in fragrance chemistry and in the synthesis of pharmaceutical or agrochemical intermediates. Additionally, it can function as a precursor in industrial chemical manufacturing and related adhesive or coating systems where a reactive vinyl acetal is advantageous, with use governed by formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 529.29
    methanol 622.72
    isopropanol 488.33
    water 2.48
    ethyl acetate 768.0
    n-propanol 564.49
    acetone 871.64
    n-butanol 550.04
    acetonitrile 975.61
    DMF 896.74
    toluene 612.82
    isobutanol 515.7
    1,4-dioxane 1091.82
    methyl acetate 770.82
    THF 1386.86
    2-butanone 844.57
    n-pentanol 465.21
    sec-butanol 660.45
    n-hexane 517.4
    ethylene glycol 139.7
    NMP 1298.6
    cyclohexane 847.54
    DMSO 1015.19
    n-butyl acetate 964.94
    n-octanol 509.46
    chloroform 3329.08
    n-propyl acetate 661.86
    acetic acid 868.48
    dichloromethane 3477.36
    cyclohexanone 1378.04
    propylene glycol 183.54
    isopropyl acetate 448.41
    DMAc 1016.68
    2-ethoxyethanol 519.8
    isopentanol 463.7
    n-heptane 565.88
    ethyl formate 575.13
    1,2-dichloroethane 1637.34
    n-hexanol 630.69
    2-methoxyethanol 629.62
    isobutyl acetate 436.1
    tetrachloromethane 880.58
    n-pentyl acetate 611.13
    transcutol 1041.06
    n-heptanol 376.85
    ethylbenzene 489.92
    MIBK 375.29
    2-propoxyethanol 627.3
    tert-butanol 650.89
    MTBE 698.3
    2-butoxyethanol 409.56
    propionic acid 668.97
    o-xylene 503.25
    formic acid 186.14
    diethyl ether 762.86
    m-xylene 397.61
    p-xylene 755.86
    chlorobenzene 1028.55
    dimethyl carbonate 274.96
    n-octane 218.91
    formamide 237.92
    cyclopentanone 1301.43
    2-pentanone 624.89
    anisole 653.02
    cyclopentyl methyl ether 849.86
    gamma-butyrolactone 1445.61
    1-methoxy-2-propanol 500.17
    pyridine 1239.86
    3-pentanone 668.59
    furfural 1319.43
    n-dodecane 163.56
    diethylene glycol 372.87
    diisopropyl ether 300.79
    tert-amyl alcohol 734.52
    acetylacetone 652.59
    n-hexadecane 180.27
    acetophenone 677.57
    methyl propionate 621.12
    isopentyl acetate 699.63
    trichloroethylene 2841.39
    n-nonanol 437.18
    cyclohexanol 837.78
    benzyl alcohol 478.66
    2-ethylhexanol 597.87
    isooctanol 325.2
    dipropyl ether 870.01
    1,2-dichlorobenzene 1072.19
    ethyl lactate 322.21
    propylene carbonate 952.89
    n-methylformamide 459.72
    2-pentanol 456.56
    n-pentane 383.09
    1-propoxy-2-propanol 576.18
    1-methoxy-2-propyl acetate 534.96
    2-(2-methoxypropoxy) propanol 468.02
    mesitylene 313.08
    ε-caprolactone 1178.26
    p-cymene 440.88
    epichlorohydrin 1428.54
    1,1,1-trichloroethane 1873.9
    2-aminoethanol 246.09
    morpholine-4-carbaldehyde 956.54
    sulfolane 1729.47
    2,2,4-trimethylpentane 213.15
    2-methyltetrahydrofuran 1317.27
    n-hexyl acetate 910.64
    isooctane 121.66
    2-(2-butoxyethoxy)ethanol 493.49
    sec-butyl acetate 431.17
    tert-butyl acetate 455.04
    decalin 366.34
    glycerin 229.84
    diglyme 1021.05
    acrylic acid 594.77
    isopropyl myristate 408.7
    n-butyric acid 739.81
    acetyl acetate 572.6
    di(2-ethylhexyl) phthalate 335.47
    ethyl propionate 618.76
    nitromethane 1102.98
    1,2-diethoxyethane 729.67
    benzonitrile 858.55
    trioctyl phosphate 274.37
    1-bromopropane 1291.09
    gamma-valerolactone 1192.14
    n-decanol 332.18
    triethyl phosphate 450.53
    4-methyl-2-pentanol 251.84
    propionitrile 804.15
    vinylene carbonate 968.48
    1,1,2-trichlorotrifluoroethane 1059.44
    DMS 591.95
    cumene 366.36
    2-octanol 372.77
    2-hexanone 659.88
    octyl acetate 488.15
    limonene 702.9
    1,2-dimethoxyethane 1139.67
    ethyl orthosilicate 418.99
    tributyl phosphate 363.15
    diacetone alcohol 405.07
    N,N-dimethylaniline 532.37
    acrylonitrile 852.07
    aniline 532.71
    1,3-propanediol 334.18
    bromobenzene 1227.15
    dibromomethane 2440.57
    1,1,2,2-tetrachloroethane 2323.5
    2-methyl-cyclohexyl acetate 643.76
    tetrabutyl urea 443.88
    diisobutyl methanol 330.42
    2-phenylethanol 499.06
    styrene 637.26
    dioctyl adipate 588.21
    dimethyl sulfate 468.55
    ethyl butyrate 817.62
    methyl lactate 312.01
    butyl lactate 408.87
    diethyl carbonate 645.57
    propanediol butyl ether 364.94
    triethyl orthoformate 580.47
    p-tert-butyltoluene 401.22
    methyl 4-tert-butylbenzoate 550.82
    morpholine 1054.77
    tert-butylamine 566.65
    n-dodecanol 278.46
    dimethoxymethane 557.1
    ethylene carbonate 756.16
    cyrene 435.46
    2-ethoxyethyl acetate 549.45
    2-ethylhexyl acetate 658.45
    1,2,4-trichlorobenzene 1202.41
    4-methylpyridine 1199.73
    dibutyl ether 820.71
    2,6-dimethyl-4-heptanol 330.42
    DEF 810.42
    dimethyl isosorbide 810.56
    tetrachloroethylene 1651.0
    eugenol 467.9
    triacetin 730.54
    span 80 468.43
    1,4-butanediol 219.76
    1,1-dichloroethane 1664.8
    2-methyl-1-pentanol 470.18
    methyl formate 436.95
    2-methyl-1-butanol 526.31
    n-decane 252.95
    butyronitrile 819.95
    3,7-dimethyl-1-octanol 474.49
    1-chlorooctane 622.73
    1-chlorotetradecane 281.23
    n-nonane 286.0
    undecane 191.61
    tert-butylcyclohexane 314.38
    cyclooctane 314.44
    cyclopentanol 844.29
    tetrahydropyran 1338.31
    tert-amyl methyl ether 631.03
    2,5,8-trioxanonane 738.33
    1-hexene 823.09
    2-isopropoxyethanol 407.3
    2,2,2-trifluoroethanol 261.98
    methyl butyrate 868.44

    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