Ethyl 4-methyl-4-pentenoate

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  • Identifiers

    CAS number
    4911-54-0

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)CCC(=C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 94.08%
    Green 65.09%
    Apple 59.2%
    Pineapple 53.39%
    Sweet 45.54%
    Tropical 43.61%
    Winey 41.44%
    Berry 35.71%
    Herbal 34.19%
    Banana 33.98%

     

    Flavor
    Fruity 86.53%
    Pineapple 51.22%
    Sweet 47.53%
    Berry 41.48%
    Apple 39.85%
    Tropical 39.14%
    Fruit 33.6%
    Green 33.42%
    Banana 29.45%
    Grape 27.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.41 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 52.93 ˚C est.

  • Synonyms

    • Ethyl 4-methyl-4-pentenoate
    • 4911-54-0
    • DTXSID60392296
    • RefChem:595469
    • DTXCID10343157
    • 628-344-2
    • Ethyl 4-methylpent-4-enoate
    • MFCD00075160
    • 4-methyl-pent-4-enoic acid ethyl ester
    • Ethyl4-methylpent-4-enoate
    • SCHEMBL932338
    • Ethyl 4-methyl-pent-4-en-1-oate
    • Ethyl 4-methyl-4-pentenoate, 95%
    • XH1245
    • AKOS024257293
    • CS-W018285
    • CS-17380
    • SY075853
    • DB-070963
    • A11234
    • F521452
    • 4911-54-0

  • Applications

    Ethyl 4-methyl-4-pentenoate (CAS number: 4911-54-0) is primarily used as an organic synthesis intermediate. In fragrance chemistry, it can serve as a fragrance ingredient or precursor for more complex aroma compounds. Its vinyl group enables participation in polymerization, so it is used as a reactive monomer or co-monomer in coatings, inks, and adhesives, and as a reactive diluent for UV-curable systems. It can also function as a building block for specialty polymers and plastic formulations. In cosmetics and personal care, it may be present as a fragrance component in formulations, subject to regulatory limits. Across industries, its applications are driven by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1675.87
    methanol 2484.04
    isopropanol 1402.69
    water 12.16
    ethyl acetate 295.03
    n-propanol 1076.35
    acetone 470.91
    n-butanol 1032.28
    acetonitrile 427.39
    DMF 932.45
    toluene 202.38
    isobutanol 758.53
    1,4-dioxane 1070.66
    methyl acetate 351.12
    THF 838.9
    2-butanone 387.34
    n-pentanol 715.24
    sec-butanol 978.96
    n-hexane 103.45
    ethylene glycol 379.28
    NMP 494.11
    cyclohexane 115.09
    DMSO 509.78
    n-butyl acetate 249.17
    n-octanol 256.75
    chloroform 1022.26
    n-propyl acetate 172.96
    acetic acid 862.31
    dichloromethane 603.33
    cyclohexanone 506.3
    propylene glycol 523.85
    isopropyl acetate 180.19
    DMAc 821.43
    2-ethoxyethanol 708.31
    isopentanol 730.09
    n-heptane 42.61
    ethyl formate 288.63
    1,2-dichloroethane 324.99
    n-hexanol 686.13
    2-methoxyethanol 1254.72
    isobutyl acetate 124.66
    tetrachloromethane 161.21
    n-pentyl acetate 154.03
    transcutol 1206.8
    n-heptanol 217.98
    ethylbenzene 140.66
    MIBK 188.9
    2-propoxyethanol 778.59
    tert-butanol 1280.79
    MTBE 596.3
    2-butoxyethanol 341.58
    propionic acid 523.16
    o-xylene 145.51
    formic acid 393.37
    diethyl ether 472.69
    m-xylene 148.53
    p-xylene 176.45
    chlorobenzene 225.39
    dimethyl carbonate 83.76
    n-octane 19.87
    formamide 309.29
    cyclopentanone 384.32
    2-pentanone 286.97
    anisole 262.54
    cyclopentyl methyl ether 330.53
    gamma-butyrolactone 378.05
    1-methoxy-2-propanol 762.59
    pyridine 544.96
    3-pentanone 183.82
    furfural 443.76
    n-dodecane 19.89
    diethylene glycol 591.12
    diisopropyl ether 107.52
    tert-amyl alcohol 927.34
    acetylacetone 225.35
    n-hexadecane 21.65
    acetophenone 210.88
    methyl propionate 213.64
    isopentyl acetate 237.08
    trichloroethylene 584.59
    n-nonanol 214.97
    cyclohexanol 665.59
    benzyl alcohol 306.1
    2-ethylhexanol 280.42
    isooctanol 162.58
    dipropyl ether 182.25
    1,2-dichlorobenzene 186.08
    ethyl lactate 132.94
    propylene carbonate 236.72
    n-methylformamide 461.3
    2-pentanol 600.56
    n-pentane 96.91
    1-propoxy-2-propanol 441.23
    1-methoxy-2-propyl acetate 225.79
    2-(2-methoxypropoxy) propanol 336.46
    mesitylene 87.72
    ε-caprolactone 421.59
    p-cymene 79.5
    epichlorohydrin 482.29
    1,1,1-trichloroethane 359.87
    2-aminoethanol 695.96
    morpholine-4-carbaldehyde 722.99
    sulfolane 352.23
    2,2,4-trimethylpentane 45.69
    2-methyltetrahydrofuran 649.19
    n-hexyl acetate 271.6
    isooctane 31.26
    2-(2-butoxyethoxy)ethanol 439.1
    sec-butyl acetate 139.81
    tert-butyl acetate 212.69
    decalin 54.68
    glycerin 536.25
    diglyme 641.7
    acrylic acid 395.1
    isopropyl myristate 105.18
    n-butyric acid 649.45
    acetyl acetate 158.06
    di(2-ethylhexyl) phthalate 122.73
    ethyl propionate 145.52
    nitromethane 579.66
    1,2-diethoxyethane 338.95
    benzonitrile 312.75
    trioctyl phosphate 84.67
    1-bromopropane 312.21
    gamma-valerolactone 646.66
    n-decanol 153.29
    triethyl phosphate 89.17
    4-methyl-2-pentanol 286.25
    propionitrile 406.32
    vinylene carbonate 242.75
    1,1,2-trichlorotrifluoroethane 483.99
    DMS 149.27
    cumene 97.44
    2-octanol 154.21
    2-hexanone 234.93
    octyl acetate 140.2
    limonene 128.03
    1,2-dimethoxyethane 879.04
    ethyl orthosilicate 97.39
    tributyl phosphate 102.22
    diacetone alcohol 318.89
    N,N-dimethylaniline 198.33
    acrylonitrile 394.87
    aniline 323.55
    1,3-propanediol 924.35
    bromobenzene 196.45
    dibromomethane 440.4
    1,1,2,2-tetrachloroethane 581.64
    2-methyl-cyclohexyl acetate 160.83
    tetrabutyl urea 132.78
    diisobutyl methanol 141.02
    2-phenylethanol 278.44
    styrene 171.3
    dioctyl adipate 148.1
    dimethyl sulfate 116.38
    ethyl butyrate 149.88
    methyl lactate 162.41
    butyl lactate 153.69
    diethyl carbonate 115.64
    propanediol butyl ether 364.47
    triethyl orthoformate 132.42
    p-tert-butyltoluene 79.93
    methyl 4-tert-butylbenzoate 179.85
    morpholine 1323.92
    tert-butylamine 786.12
    n-dodecanol 113.61
    dimethoxymethane 386.94
    ethylene carbonate 203.4
    cyrene 239.24
    2-ethoxyethyl acetate 209.6
    2-ethylhexyl acetate 179.59
    1,2,4-trichlorobenzene 229.31
    4-methylpyridine 547.17
    dibutyl ether 192.3
    2,6-dimethyl-4-heptanol 141.02
    DEF 386.45
    dimethyl isosorbide 341.4
    tetrachloroethylene 391.49
    eugenol 223.39
    triacetin 207.06
    span 80 305.19
    1,4-butanediol 412.71
    1,1-dichloroethane 445.62
    2-methyl-1-pentanol 516.53
    methyl formate 267.57
    2-methyl-1-butanol 668.7
    n-decane 33.22
    butyronitrile 501.09
    3,7-dimethyl-1-octanol 243.26
    1-chlorooctane 108.26
    1-chlorotetradecane 47.89
    n-nonane 32.25
    undecane 24.53
    tert-butylcyclohexane 55.51
    cyclooctane 30.87
    cyclopentanol 589.69
    tetrahydropyran 841.59
    tert-amyl methyl ether 393.06
    2,5,8-trioxanonane 467.91
    1-hexene 305.74
    2-isopropoxyethanol 423.94
    2,2,2-trifluoroethanol 207.5
    methyl butyrate 222.93

    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