Ethylacrolein

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  • Identifiers

    CAS number
    922-63-4

    Molecular formula
    C5H8O

    SMILES
    CCC(=C)C=O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 70.92%
    Ethereal 53.2%
    Fruity 52.45%
    Sharp 44.33%
    Green 40.35%
    Nutty 33.28%
    Spicy 31.25%
    Alliaceous 31.23%
    Radish 28.89%
    Herbal 28.85%

     

    Flavor
    Pungent 46.73%
    Ethereal 36.74%
    Nutty 33.82%
    Fruity 32.02%
    Green 31.06%
    Spicy 30.84%
    Almond 29.75%
    Mustard 29.55%
    Sweet 28.51%
    Garlic 26.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.26 (neutral)

    Molecular weight
    84.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    94°C

    Flash point

    • 7.06 ˚C est.

  • Synonyms

    • 2-Ethylacrolein
    • 922-63-4
    • 2-Methylenebutanal
    • Ethacrolein
    • alpha-Ethylacrolein
    • Ethylacrolein
    • DTXSID1029205
    • RefChem:111231
    • DTXCID309205
    • 213-079-3
    • 2-methylidenebutanal
    • 2-Ethylpropenal
    • 2-Ethylacrylaldehyde
    • Butanal, 2-methylene-
    • 2-Methylenebutyraldehyde
    • 2-Ethacrolein
    • MFCD00010129
    • alpha-Ethylacrylaldehyde
    • CCRIS 4932
    • EINECS 213-079-3
    • BRN 1098378
    • Butyraldehyde, 2-methylene-
    • 2-Ethylacroleine
    • 2-ethyl acrolein
    • 2-ethyl-acrolein
    • 2-formylbut-1-ene
    • 2-ethyl-2-propenal
    • 2-Ethylacrylaldehyde #
    • 2-methylene-butyraldehyde
    • 4-01-00-03463 (Beilstein Handbook Reference)
    • SCHEMBL182649
    • SCHEMBL910033
    • CHEMBL4085512
    • AKOS009031451
    • AS-56680
    • NS00039446
    • EN300-20147
    • G85795
    • 922E634
    • A810426
    • 2-Ethylacrolein, contains hydroquinone as stabilizer
    • 922-63-4

  • Applications

    Ethylacrolein (CAS 922-63-4) is a reactive α,β-unsaturated aldehyde that is commonly used as a chemical building block in organic synthesis. In practice, it is employed as a precursor for fragrance and flavor compounds, supporting the synthesis of aroma materials and odorants used in the fragrance industry. It may also serve as a precursor or functional ingredient in cosmetics and personal care products. In the polymer and plastics sector, it can act as a monomer or a building block for specialty polymers and resins. In coatings and inks, it can serve as a functional precursor for crosslinking or other reactive functionalities. Its use is subject to safety considerations and regulatory limits in different markets and formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.81
    methanol 101.12
    isopropanol 71.34
    water 2.41
    ethyl acetate 125.71
    n-propanol 89.16
    acetone 111.65
    n-butanol 84.59
    acetonitrile 135.74
    DMF 107.74
    toluene 30.09
    isobutanol 73.8
    1,4-dioxane 153.47
    methyl acetate 157.76
    THF 161.98
    2-butanone 138.13
    n-pentanol 77.4
    sec-butanol 87.23
    n-hexane 17.8
    ethylene glycol 28.1
    NMP 173.85
    cyclohexane 16.93
    DMSO 114.85
    n-butyl acetate 176.72
    n-octanol 72.71
    chloroform 324.15
    n-propyl acetate 118.75
    acetic acid 259.25
    dichloromethane 258.56
    cyclohexanone 179.84
    propylene glycol 35.7
    isopropyl acetate 74.21
    DMAc 120.38
    2-ethoxyethanol 101.97
    isopentanol 89.19
    n-heptane 16.01
    ethyl formate 86.95
    1,2-dichloroethane 140.42
    n-hexanol 115.42
    2-methoxyethanol 120.09
    isobutyl acetate 78.21
    tetrachloromethane 71.12
    n-pentyl acetate 101.01
    transcutol 596.44
    n-heptanol 66.81
    ethylbenzene 39.3
    MIBK 66.18
    2-propoxyethanol 133.4
    tert-butanol 113.71
    MTBE 83.7
    2-butoxyethanol 108.62
    propionic acid 178.15
    o-xylene 39.91
    formic acid 85.1
    diethyl ether 63.69
    m-xylene 30.9
    p-xylene 63.8
    chlorobenzene 96.62
    dimethyl carbonate 34.36
    n-octane 8.97
    formamide 103.82
    cyclopentanone 184.73
    2-pentanone 86.74
    anisole 91.33
    cyclopentyl methyl ether 78.23
    gamma-butyrolactone 257.35
    1-methoxy-2-propanol 82.61
    pyridine 161.76
    3-pentanone 73.87
    furfural 250.06
    n-dodecane 7.62
    diethylene glycol 94.65
    diisopropyl ether 30.83
    tert-amyl alcohol 120.09
    acetylacetone 111.29
    n-hexadecane 8.34
    acetophenone 105.43
    methyl propionate 83.66
    isopentyl acetate 161.07
    trichloroethylene 372.65
    n-nonanol 63.97
    cyclohexanol 78.26
    benzyl alcohol 70.61
    2-ethylhexanol 96.48
    isooctanol 66.8
    dipropyl ether 69.3
    1,2-dichlorobenzene 109.92
    ethyl lactate 60.53
    propylene carbonate 162.98
    n-methylformamide 89.87
    2-pentanol 67.49
    n-pentane 11.12
    1-propoxy-2-propanol 125.49
    1-methoxy-2-propyl acetate 129.87
    2-(2-methoxypropoxy) propanol 149.46
    mesitylene 27.05
    ε-caprolactone 184.83
    p-cymene 46.01
    epichlorohydrin 213.82
    1,1,1-trichloroethane 197.96
    2-aminoethanol 59.91
    morpholine-4-carbaldehyde 175.97
    sulfolane 234.13
    2,2,4-trimethylpentane 13.95
    2-methyltetrahydrofuran 161.43
    n-hexyl acetate 144.02
    isooctane 9.86
    2-(2-butoxyethoxy)ethanol 186.57
    sec-butyl acetate 82.77
    tert-butyl acetate 94.08
    decalin 17.01
    glycerin 55.18
    diglyme 302.28
    acrylic acid 161.75
    isopropyl myristate 58.95
    n-butyric acid 183.57
    acetyl acetate 101.12
    di(2-ethylhexyl) phthalate 62.04
    ethyl propionate 89.87
    nitromethane 305.76
    1,2-diethoxyethane 162.82
    benzonitrile 119.53
    trioctyl phosphate 43.94
    1-bromopropane 79.76
    gamma-valerolactone 226.86
    n-decanol 48.3
    triethyl phosphate 61.24
    4-methyl-2-pentanol 51.28
    propionitrile 99.35
    vinylene carbonate 156.28
    1,1,2-trichlorotrifluoroethane 187.99
    DMS 110.97
    cumene 40.3
    2-octanol 51.07
    2-hexanone 112.62
    octyl acetate 75.13
    limonene 62.65
    1,2-dimethoxyethane 151.99
    ethyl orthosilicate 60.11
    tributyl phosphate 58.87
    diacetone alcohol 109.86
    N,N-dimethylaniline 63.97
    acrylonitrile 138.25
    aniline 64.43
    1,3-propanediol 79.32
    bromobenzene 86.12
    dibromomethane 172.49
    1,1,2,2-tetrachloroethane 261.44
    2-methyl-cyclohexyl acetate 118.79
    tetrabutyl urea 67.06
    diisobutyl methanol 59.27
    2-phenylethanol 98.75
    styrene 45.36
    dioctyl adipate 92.04
    dimethyl sulfate 59.75
    ethyl butyrate 127.68
    methyl lactate 51.01
    butyl lactate 88.36
    diethyl carbonate 96.08
    propanediol butyl ether 104.88
    triethyl orthoformate 87.73
    p-tert-butyltoluene 41.08
    methyl 4-tert-butylbenzoate 108.67
    morpholine 147.35
    tert-butylamine 75.11
    n-dodecanol 37.17
    dimethoxymethane 53.75
    ethylene carbonate 111.85
    cyrene 103.28
    2-ethoxyethyl acetate 133.62
    2-ethylhexyl acetate 125.55
    1,2,4-trichlorobenzene 132.42
    4-methylpyridine 127.29
    dibutyl ether 84.32
    2,6-dimethyl-4-heptanol 59.27
    DEF 98.45
    dimethyl isosorbide 219.91
    tetrachloroethylene 200.87
    eugenol 119.51
    triacetin 143.15
    span 80 129.85
    1,4-butanediol 39.68
    1,1-dichloroethane 154.74
    2-methyl-1-pentanol 93.67
    methyl formate 76.28
    2-methyl-1-butanol 90.58
    n-decane 12.46
    butyronitrile 100.76
    3,7-dimethyl-1-octanol 84.77
    1-chlorooctane 49.87
    1-chlorotetradecane 20.3
    n-nonane 12.09
    undecane 9.52
    tert-butylcyclohexane 19.72
    cyclooctane 6.81
    cyclopentanol 85.18
    tetrahydropyran 122.83
    tert-amyl methyl ether 74.36
    2,5,8-trioxanonane 211.43
    1-hexene 56.92
    2-isopropoxyethanol 87.62
    2,2,2-trifluoroethanol 98.05
    methyl butyrate 126.46

    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