4-Pentenal, 2-ethyl-

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  • Identifiers

    CAS number
    5204-80-8

    Molecular formula
    C7H12O

    SMILES
    CCC(CC=C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.56%
    Green 61.93%
    Pungent 44.15%
    Cheesy 37.0%
    Fatty 35.3%
    Metallic 29.84%
    Fresh 29.52%
    Ethereal 27.65%
    Sharp 26.2%
    Aldehydic 24.71%

     

    Flavor
    Green 59.32%
    Fatty 34.05%
    Oily 31.46%
    Fresh 31.29%
    Sweet 28.25%
    Vegetable 28.09%
    Spicy 27.66%
    Fruity 26.46%
    Melon 26.25%
    Pungent 26.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.0 (neutral)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point

    • 32.76 ˚C est.

  • Synonyms

    • 2-ETHYL-4-PENTENAL
    • 5204-80-8
    • 4-Pentenal, 2-ethyl-
    • 2Ethyl4pentenal
    • RefChem:100300
    • UADJTDURPOSPRM-UHFFFAOYSA-N
    • 2-ethylpent-4-enal
    • 2-Ethyl-4-pentenal #
    • SCHEMBL2163229
    • SCHEMBL2163231
    • DTXSID20966396
    • 5204-80-8

  • Applications

    4-Pentenal, 2-ethyl- (CAS 5204-80-8) is primarily used as an odorant/fragrance ingredient in perfumery and flavor formulations; it also serves as a chemical intermediate for fragrance and specialty chemicals in food, cosmetics, and personal care applications. It is used as an intermediate in the production of coatings and inks, and may appear in household products such as cleaners and detergents to impart fragrance. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 392.0
    methanol 444.69
    isopropanol 335.73
    water 1.23
    ethyl acetate 272.46
    n-propanol 327.71
    acetone 341.08
    n-butanol 306.17
    acetonitrile 263.9
    DMF 376.76
    toluene 110.04
    isobutanol 273.81
    1,4-dioxane 457.42
    methyl acetate 292.9
    THF 591.4
    2-butanone 347.59
    n-pentanol 245.68
    sec-butanol 285.78
    n-hexane 82.65
    ethylene glycol 86.31
    NMP 520.11
    cyclohexane 72.96
    DMSO 469.68
    n-butyl acetate 414.42
    n-octanol 169.19
    chloroform 716.16
    n-propyl acetate 253.77
    acetic acid 311.06
    dichloromethane 585.52
    cyclohexanone 509.33
    propylene glycol 118.68
    isopropyl acetate 173.91
    DMAc 243.57
    2-ethoxyethanol 243.99
    isopentanol 287.07
    n-heptane 57.98
    ethyl formate 194.16
    1,2-dichloroethane 373.04
    n-hexanol 424.11
    2-methoxyethanol 322.96
    isobutyl acetate 185.5
    tetrachloromethane 166.62
    n-pentyl acetate 202.55
    transcutol 967.65
    n-heptanol 174.76
    ethylbenzene 95.7
    MIBK 186.88
    2-propoxyethanol 441.72
    tert-butanol 412.47
    MTBE 283.02
    2-butoxyethanol 237.62
    propionic acid 342.66
    o-xylene 101.49
    formic acid 89.25
    diethyl ether 222.96
    m-xylene 109.79
    p-xylene 125.23
    chlorobenzene 247.57
    dimethyl carbonate 69.0
    n-octane 26.62
    formamide 90.99
    cyclopentanone 529.06
    2-pentanone 269.62
    anisole 176.71
    cyclopentyl methyl ether 299.06
    gamma-butyrolactone 608.17
    1-methoxy-2-propanol 283.81
    pyridine 329.01
    3-pentanone 190.83
    furfural 463.6
    n-dodecane 21.9
    diethylene glycol 281.11
    diisopropyl ether 100.43
    tert-amyl alcohol 324.85
    acetylacetone 259.83
    n-hexadecane 24.38
    acetophenone 188.95
    methyl propionate 198.6
    isopentyl acetate 362.6
    trichloroethylene 731.02
    n-nonanol 147.42
    cyclohexanol 287.2
    benzyl alcohol 158.37
    2-ethylhexanol 261.54
    isooctanol 153.11
    dipropyl ether 219.78
    1,2-dichlorobenzene 244.3
    ethyl lactate 127.98
    propylene carbonate 358.51
    n-methylformamide 210.17
    2-pentanol 232.25
    n-pentane 54.97
    1-propoxy-2-propanol 367.17
    1-methoxy-2-propyl acetate 268.14
    2-(2-methoxypropoxy) propanol 251.97
    mesitylene 86.46
    ε-caprolactone 428.59
    p-cymene 99.11
    epichlorohydrin 527.03
    1,1,1-trichloroethane 440.52
    2-aminoethanol 168.78
    morpholine-4-carbaldehyde 401.98
    sulfolane 723.6
    2,2,4-trimethylpentane 39.49
    2-methyltetrahydrofuran 491.07
    n-hexyl acetate 290.48
    isooctane 39.62
    2-(2-butoxyethoxy)ethanol 324.55
    sec-butyl acetate 172.91
    tert-butyl acetate 212.7
    decalin 54.33
    glycerin 147.13
    diglyme 482.35
    acrylic acid 269.66
    isopropyl myristate 120.97
    n-butyric acid 407.94
    acetyl acetate 157.72
    di(2-ethylhexyl) phthalate 114.2
    ethyl propionate 187.05
    nitromethane 398.78
    1,2-diethoxyethane 313.24
    benzonitrile 252.16
    trioctyl phosphate 95.83
    1-bromopropane 293.31
    gamma-valerolactone 551.38
    n-decanol 114.3
    triethyl phosphate 107.13
    4-methyl-2-pentanol 153.49
    propionitrile 274.11
    vinylene carbonate 297.05
    1,1,2-trichlorotrifluoroethane 348.11
    DMS 180.03
    cumene 88.22
    2-octanol 127.59
    2-hexanone 276.97
    octyl acetate 149.5
    limonene 148.78
    1,2-dimethoxyethane 378.98
    ethyl orthosilicate 110.12
    tributyl phosphate 115.49
    diacetone alcohol 259.39
    N,N-dimethylaniline 130.84
    acrylonitrile 300.51
    aniline 164.8
    1,3-propanediol 226.88
    bromobenzene 255.8
    dibromomethane 434.84
    1,1,2,2-tetrachloroethane 569.16
    2-methyl-cyclohexyl acetate 211.67
    tetrabutyl urea 137.64
    diisobutyl methanol 148.45
    2-phenylethanol 220.61
    styrene 115.33
    dioctyl adipate 156.94
    dimethyl sulfate 130.89
    ethyl butyrate 255.02
    methyl lactate 125.2
    butyl lactate 180.29
    diethyl carbonate 156.76
    propanediol butyl ether 246.88
    triethyl orthoformate 161.91
    p-tert-butyltoluene 95.33
    methyl 4-tert-butylbenzoate 184.57
    morpholine 472.13
    tert-butylamine 291.64
    n-dodecanol 91.26
    dimethoxymethane 180.41
    ethylene carbonate 239.52
    cyrene 199.66
    2-ethoxyethyl acetate 225.11
    2-ethylhexyl acetate 264.93
    1,2,4-trichlorobenzene 272.68
    4-methylpyridine 321.97
    dibutyl ether 191.16
    2,6-dimethyl-4-heptanol 148.45
    DEF 263.7
    dimethyl isosorbide 375.64
    tetrachloroethylene 397.61
    eugenol 206.8
    triacetin 216.13
    span 80 235.33
    1,4-butanediol 118.37
    1,1-dichloroethane 454.1
    2-methyl-1-pentanol 241.09
    methyl formate 160.27
    2-methyl-1-butanol 263.64
    n-decane 34.4
    butyronitrile 286.54
    3,7-dimethyl-1-octanol 182.54
    1-chlorooctane 125.39
    1-chlorotetradecane 54.28
    n-nonane 35.87
    undecane 26.81
    tert-butylcyclohexane 62.58
    cyclooctane 29.03
    cyclopentanol 331.77
    tetrahydropyran 463.2
    tert-amyl methyl ether 200.34
    2,5,8-trioxanonane 343.09
    1-hexene 215.42
    2-isopropoxyethanol 212.73
    2,2,2-trifluoroethanol 99.9
    methyl butyrate 267.99

    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