3-Pentenoic acid, 4-methyl-, ethyl ester

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  • Identifiers

    CAS number
    6849-18-9

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)CC=C(C)C

  • Odor profile

    Fragrance
    Fruity 94.01%
    Green 83.11%
    Apple 70.49%
    Pineapple 55.56%
    Sweet 50.82%
    Tropical 50.21%
    Winey 42.1%
    Banana 40.95%
    Pear 37.43%
    Berry 35.51%

     

    Flavor
    Fruity 81.84%
    Sweet 59.47%
    Green 47.97%
    Apple 45.88%
    Pineapple 39.66%
    Tropical 39.5%
    Banana 38.94%
    Fruit 37.88%
    Bitter 35.37%
    Fresh 34.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.85 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point

    • 56.83 ˚C est.

  • Synonyms

    • Ethyl 4-methyl-3-pentenoate
    • 6849-18-9
    • 3-Pentenoic acid, 4-methyl-, ethyl ester
    • ethyl 4-methylpent-3-enoate
    • UNII-6LO1L4F1TE
    • 6LO1L4F1TE
    • DTXSID20218600
    • 4-Methyl-3-pentenoic acid ethyl ester
    • SCHEMBL8465901
    • DTXCID30141091
    • 4-methyl-pent-3-enoic acid ethyl ester
    • 3-pentenoic acid ,4-methyl-,ethyl ester
    • DB-253218
    • NS00022686
    • Q27265112
    • 614-536-3

  • Applications

    3-Pentenoic acid, 4-methyl-, ethyl ester (CAS 6849-18-9) is an unsaturated ester that is used mainly as an intermediate in organic synthesis and as a reactive monomer in specialty polymers. It can serve as a monomer or comonomer in UV-curable coatings and inks, as well as in adhesive resins, where its vinyl functionality enables crosslinking. It functions as a building block for functionalized esters in the synthesis of advanced materials. The ester may be explored as a precursor in fragrance chemistry as well as in related flavor/aroma applications. It can contribute to polyester and plastic resin formulations as part of the network structure. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1141.39
    methanol 1453.63
    isopropanol 1008.34
    water 8.51
    ethyl acetate 234.39
    n-propanol 799.32
    acetone 374.49
    n-butanol 736.88
    acetonitrile 336.27
    DMF 848.24
    toluene 209.22
    isobutanol 533.3
    1,4-dioxane 891.55
    methyl acetate 297.43
    THF 725.9
    2-butanone 303.94
    n-pentanol 441.48
    sec-butanol 727.25
    n-hexane 103.5
    ethylene glycol 295.72
    NMP 458.41
    cyclohexane 147.07
    DMSO 436.53
    n-butyl acetate 172.21
    n-octanol 212.75
    chloroform 1097.73
    n-propyl acetate 117.27
    acetic acid 588.22
    dichloromethane 604.56
    cyclohexanone 403.62
    propylene glycol 441.39
    isopropyl acetate 136.82
    DMAc 724.29
    2-ethoxyethanol 465.94
    isopentanol 479.79
    n-heptane 47.15
    ethyl formate 201.67
    1,2-dichloroethane 314.93
    n-hexanol 475.21
    2-methoxyethanol 958.79
    isobutyl acetate 83.89
    tetrachloromethane 183.96
    n-pentyl acetate 115.8
    transcutol 856.54
    n-heptanol 171.34
    ethylbenzene 129.07
    MIBK 132.41
    2-propoxyethanol 566.24
    tert-butanol 976.56
    MTBE 462.17
    2-butoxyethanol 266.45
    propionic acid 392.17
    o-xylene 141.52
    formic acid 260.31
    diethyl ether 374.65
    m-xylene 135.9
    p-xylene 154.22
    chlorobenzene 213.85
    dimethyl carbonate 83.12
    n-octane 23.11
    formamide 234.04
    cyclopentanone 328.1
    2-pentanone 208.7
    anisole 232.47
    cyclopentyl methyl ether 280.94
    gamma-butyrolactone 328.57
    1-methoxy-2-propanol 614.79
    pyridine 510.18
    3-pentanone 156.05
    furfural 378.11
    n-dodecane 21.68
    diethylene glycol 459.05
    diisopropyl ether 87.52
    tert-amyl alcohol 686.06
    acetylacetone 191.43
    n-hexadecane 23.74
    acetophenone 175.13
    methyl propionate 195.01
    isopentyl acetate 160.92
    trichloroethylene 579.23
    n-nonanol 181.47
    cyclohexanol 557.67
    benzyl alcohol 247.84
    2-ethylhexanol 208.62
    isooctanol 126.62
    dipropyl ether 151.35
    1,2-dichlorobenzene 177.75
    ethyl lactate 114.12
    propylene carbonate 203.2
    n-methylformamide 368.97
    2-pentanol 443.29
    n-pentane 102.01
    1-propoxy-2-propanol 339.32
    1-methoxy-2-propyl acetate 176.84
    2-(2-methoxypropoxy) propanol 262.53
    mesitylene 85.65
    ε-caprolactone 343.25
    p-cymene 72.37
    epichlorohydrin 411.23
    1,1,1-trichloroethane 375.52
    2-aminoethanol 532.02
    morpholine-4-carbaldehyde 629.01
    sulfolane 323.68
    2,2,4-trimethylpentane 43.5
    2-methyltetrahydrofuran 522.07
    n-hexyl acetate 216.67
    isooctane 28.11
    2-(2-butoxyethoxy)ethanol 345.63
    sec-butyl acetate 94.19
    tert-butyl acetate 159.05
    decalin 59.1
    glycerin 444.84
    diglyme 508.14
    acrylic acid 323.95
    isopropyl myristate 89.04
    n-butyric acid 448.11
    acetyl acetate 135.54
    di(2-ethylhexyl) phthalate 104.94
    ethyl propionate 118.63
    nitromethane 466.63
    1,2-diethoxyethane 252.08
    benzonitrile 248.17
    trioctyl phosphate 69.51
    1-bromopropane 284.0
    gamma-valerolactone 528.08
    n-decanol 132.51
    triethyl phosphate 82.01
    4-methyl-2-pentanol 199.53
    propionitrile 328.9
    vinylene carbonate 211.53
    1,1,2-trichlorotrifluoroethane 474.58
    DMS 138.59
    cumene 88.77
    2-octanol 125.32
    2-hexanone 156.9
    octyl acetate 117.88
    limonene 114.85
    1,2-dimethoxyethane 614.02
    ethyl orthosilicate 87.32
    tributyl phosphate 81.9
    diacetone alcohol 243.49
    N,N-dimethylaniline 181.19
    acrylonitrile 319.39
    aniline 308.24
    1,3-propanediol 667.83
    bromobenzene 204.53
    dibromomethane 453.58
    1,1,2,2-tetrachloroethane 606.71
    2-methyl-cyclohexyl acetate 126.83
    tetrabutyl urea 108.31
    diisobutyl methanol 110.27
    2-phenylethanol 232.51
    styrene 156.93
    dioctyl adipate 122.78
    dimethyl sulfate 120.86
    ethyl butyrate 117.01
    methyl lactate 156.61
    butyl lactate 122.82
    diethyl carbonate 95.8
    propanediol butyl ether 290.73
    triethyl orthoformate 109.55
    p-tert-butyltoluene 75.84
    methyl 4-tert-butylbenzoate 156.61
    morpholine 1122.08
    tert-butylamine 627.42
    n-dodecanol 100.22
    dimethoxymethane 345.74
    ethylene carbonate 176.12
    cyrene 202.63
    2-ethoxyethyl acetate 163.87
    2-ethylhexyl acetate 131.0
    1,2,4-trichlorobenzene 226.12
    4-methylpyridine 463.85
    dibutyl ether 153.5
    2,6-dimethyl-4-heptanol 110.27
    DEF 314.78
    dimethyl isosorbide 284.67
    tetrachloroethylene 389.26
    eugenol 195.76
    triacetin 177.11
    span 80 264.47
    1,4-butanediol 279.9
    1,1-dichloroethane 440.32
    2-methyl-1-pentanol 306.44
    methyl formate 215.77
    2-methyl-1-butanol 453.84
    n-decane 35.69
    butyronitrile 369.37
    3,7-dimethyl-1-octanol 190.36
    1-chlorooctane 106.13
    1-chlorotetradecane 47.31
    n-nonane 35.29
    undecane 26.97
    tert-butylcyclohexane 55.17
    cyclooctane 40.75
    cyclopentanol 506.63
    tetrahydropyran 703.71
    tert-amyl methyl ether 305.61
    2,5,8-trioxanonane 380.83
    1-hexene 234.22
    2-isopropoxyethanol 291.35
    2,2,2-trifluoroethanol 178.22
    methyl butyrate 161.64

    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