3-Butenal

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  • Identifiers

    CAS number
    7319-38-2

    Molecular formula
    C4H6O

    SMILES
    C=CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.9%
    Pungent 75.45%
    Green 73.47%
    Sharp 51.55%
    Ethereal 44.47%
    Alliaceous 41.21%
    Fresh 33.57%
    Radish 32.4%
    Nutty 29.71%
    Gassy 28.2%

     

    Flavor
    Pungent 64.45%
    Mustard 48.35%
    Garlic 34.78%
    Green 28.88%
    Horseradish 27.47%
    Almond 27.24%
    Ethereal 26.2%
    Vegetable 24.92%
    Formyl 23.81%
    Fruity 22.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.16 (neutral)

    Molecular weight
    70.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    89°C

    Flash point

    • -5.26 ˚C est.

  • Synonyms

    • 3-Butenal
    • 7319-38-2
    • CJ6HKP1I4E
    • DTXSID60223435
    • RefChem:911213
    • DTXCID60145926
    • but-3-enal
    • 3-Butenal(6CI,7CI,8CI,9CI)
    • Vinylacetaldehyde
    • 3-buten-1-al
    • but-3-en-1-al
    • starbld0032151
    • UNII-CJ6HKP1I4E
    • SCHEMBL44990
    • SCHEMBL49799
    • SCHEMBL251011
    • SCHEMBL5517923
    • SCHEMBL7933276
    • SCHEMBL8388968
    • But-3-enal (10% in DCM)
    • MFCD06656094
    • AKOS010079621
    • 3-Butenal (~10per cent w/w in DCM)
    • SY027093
    • EN300-1236653
    • Q22083564
    • 7319-38-2

  • Applications

    3-Butenal, CAS 7319-38-2, is an allyl aldehyde with a vinyl group, primarily used as an intermediate in the synthesis of flavor and fragrance ingredients for the perfumery and food flavor industries. It is also regarded as a building block for the preparation of aroma compounds and cosmetic/personal care ingredients. In the polymers/plastics and coatings/inks sectors, the allyl group enables participation in radical polymerization or crosslinking, so 3-Butenal can serve as a monomer or precursor for resins and paints. Additionally, it may be used as a starting material for other specialty chemicals and for household products with fragrance. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.0
    methanol 170.42
    isopropanol 71.16
    water 7.83
    ethyl acetate 57.73
    n-propanol 82.12
    acetone 118.32
    n-butanol 67.58
    acetonitrile 75.4
    DMF 242.64
    toluene 7.61
    isobutanol 57.16
    1,4-dioxane 89.69
    methyl acetate 80.82
    THF 135.88
    2-butanone 79.96
    n-pentanol 46.8
    sec-butanol 64.04
    n-hexane 9.76
    ethylene glycol 81.7
    NMP 305.84
    cyclohexane 10.43
    DMSO 247.61
    n-butyl acetate 72.24
    n-octanol 49.71
    chloroform 109.18
    n-propyl acetate 49.55
    acetic acid 407.76
    dichloromethane 80.24
    cyclohexanone 124.69
    propylene glycol 83.74
    isopropyl acetate 31.14
    DMAc 156.11
    2-ethoxyethanol 79.18
    isopentanol 50.85
    n-heptane 11.5
    ethyl formate 50.59
    1,2-dichloroethane 53.24
    n-hexanol 73.18
    2-methoxyethanol 151.89
    isobutyl acetate 30.86
    tetrachloromethane 17.59
    n-pentyl acetate 40.8
    transcutol 461.99
    n-heptanol 36.22
    ethylbenzene 10.07
    MIBK 32.53
    2-propoxyethanol 116.63
    tert-butanol 83.54
    MTBE 31.11
    2-butoxyethanol 68.56
    propionic acid 196.94
    o-xylene 13.17
    formic acid 139.11
    diethyl ether 26.59
    m-xylene 9.55
    p-xylene 15.92
    chlorobenzene 33.28
    dimethyl carbonate 31.63
    n-octane 4.36
    formamide 126.91
    cyclopentanone 166.82
    2-pentanone 54.22
    anisole 34.91
    cyclopentyl methyl ether 55.26
    gamma-butyrolactone 212.85
    1-methoxy-2-propanol 115.04
    pyridine 73.31
    3-pentanone 45.37
    furfural 185.67
    n-dodecane 4.83
    diethylene glycol 126.69
    diisopropyl ether 10.56
    tert-amyl alcohol 66.8
    acetylacetone 75.62
    n-hexadecane 5.12
    acetophenone 50.1
    methyl propionate 61.79
    isopentyl acetate 60.34
    trichloroethylene 132.63
    n-nonanol 43.61
    cyclohexanol 69.95
    benzyl alcohol 38.38
    2-ethylhexanol 48.31
    isooctanol 32.57
    dipropyl ether 39.11
    1,2-dichlorobenzene 45.74
    ethyl lactate 47.42
    propylene carbonate 112.41
    n-methylformamide 129.52
    2-pentanol 43.73
    n-pentane 5.93
    1-propoxy-2-propanol 101.01
    1-methoxy-2-propyl acetate 71.79
    2-(2-methoxypropoxy) propanol 119.19
    mesitylene 9.29
    ε-caprolactone 116.85
    p-cymene 18.86
    epichlorohydrin 120.86
    1,1,1-trichloroethane 51.77
    2-aminoethanol 106.67
    morpholine-4-carbaldehyde 209.48
    sulfolane 289.49
    2,2,4-trimethylpentane 5.74
    2-methyltetrahydrofuran 89.38
    n-hexyl acetate 79.99
    isooctane 4.07
    2-(2-butoxyethoxy)ethanol 149.95
    sec-butyl acetate 28.37
    tert-butyl acetate 39.11
    decalin 8.08
    glycerin 133.34
    diglyme 199.4
    acrylic acid 221.46
    isopropyl myristate 34.27
    n-butyric acid 154.12
    acetyl acetate 49.86
    di(2-ethylhexyl) phthalate 44.7
    ethyl propionate 42.57
    nitromethane 339.09
    1,2-diethoxyethane 70.48
    benzonitrile 54.25
    trioctyl phosphate 33.24
    1-bromopropane 25.0
    gamma-valerolactone 187.53
    n-decanol 34.52
    triethyl phosphate 33.66
    4-methyl-2-pentanol 25.38
    propionitrile 56.34
    vinylene carbonate 108.12
    1,1,2-trichlorotrifluoroethane 165.7
    DMS 77.79
    cumene 12.96
    2-octanol 27.42
    2-hexanone 52.8
    octyl acetate 46.04
    limonene 30.06
    1,2-dimethoxyethane 100.05
    ethyl orthosilicate 29.87
    tributyl phosphate 43.14
    diacetone alcohol 77.55
    N,N-dimethylaniline 31.57
    acrylonitrile 89.54
    aniline 32.59
    1,3-propanediol 108.95
    bromobenzene 24.38
    dibromomethane 51.75
    1,1,2,2-tetrachloroethane 112.63
    2-methyl-cyclohexyl acetate 55.7
    tetrabutyl urea 59.26
    diisobutyl methanol 29.11
    2-phenylethanol 52.4
    styrene 13.22
    dioctyl adipate 62.92
    dimethyl sulfate 69.3
    ethyl butyrate 54.3
    methyl lactate 71.9
    butyl lactate 59.36
    diethyl carbonate 42.71
    propanediol butyl ether 105.53
    triethyl orthoformate 41.6
    p-tert-butyltoluene 17.29
    methyl 4-tert-butylbenzoate 72.06
    morpholine 112.81
    tert-butylamine 46.35
    n-dodecanol 28.43
    dimethoxymethane 62.73
    ethylene carbonate 70.46
    cyrene 89.13
    2-ethoxyethyl acetate 58.75
    2-ethylhexyl acetate 45.46
    1,2,4-trichlorobenzene 61.02
    4-methylpyridine 53.76
    dibutyl ether 44.44
    2,6-dimethyl-4-heptanol 29.11
    DEF 85.55
    dimethyl isosorbide 148.24
    tetrachloroethylene 83.23
    eugenol 81.73
    triacetin 103.86
    span 80 119.76
    1,4-butanediol 50.19
    1,1-dichloroethane 46.79
    2-methyl-1-pentanol 43.2
    methyl formate 87.65
    2-methyl-1-butanol 53.75
    n-decane 7.01
    butyronitrile 44.62
    3,7-dimethyl-1-octanol 52.08
    1-chlorooctane 25.59
    1-chlorotetradecane 12.76
    n-nonane 6.72
    undecane 5.61
    tert-butylcyclohexane 8.43
    cyclooctane 3.57
    cyclopentanol 94.44
    tetrahydropyran 70.78
    tert-amyl methyl ether 29.78
    2,5,8-trioxanonane 171.18
    1-hexene 23.84
    2-isopropoxyethanol 54.91
    2,2,2-trifluoroethanol 119.92
    methyl butyrate 61.45

    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