Ethyl 4-pentenoate

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  • Identifiers

    CAS number
    1968-40-7

    Molecular formula
    C7H12O2

    SMILES
    CCOC(=O)CCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.5%
    Green 70.72%
    Pineapple 60.95%
    Tropical 48.98%
    Apple 48.64%
    Ethereal 47.83%
    Sweet 42.99%
    Winey 38.49%
    Pungent 37.76%
    Rummy 37.48%

     

    Flavor
    Fruity 83.54%
    Pineapple 53.78%
    Tropical 35.5%
    Apple 31.64%
    Fruit 29.57%
    Sweet 29.42%
    Berry 29.08%
    Green 27.14%
    Rum 26.56%
    Cheese 25.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.15 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Flash point

    • 35.92 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in propylene glycol
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 4-pentenoate
    • 1968-40-7
    • Ethyl pent-4-enoate
    • 4-Pentenoic acid ethyl ester
    • 4-Pentenoic acid, ethyl ester
    • 4-Ethoxycarbonylbut-1-ene
    • Ethyl pent-4-en-1-oate
    • Ethyl4-pentenoate
    • UNII-210UM0F8JP
    • ethylpent-4-enoate
    • pent-4-enoic acid ethyl ester
    • 210UM0F8JP
    • EINECS 217-818-0
    • MFCD00036562
    • AI3-37200
    • DTXSID7062089
    • FEMA NO. 4360
    • PTVSRINJXWDIKP-UHFFFAOYSA-
    • ETHYL 4-PENTENOATE [FHFI]
    • Ethyl allylacetate
    • ethyl 4-pentenate
    • SCHEMBL356135
    • CS-WAA0218
    • DTXCID0036136
    • Ethyl 4-pentenoate, AldrichCPR
    • SCHEMBL13123536
    • CHEBI:173494
    • LMFA07010870
    • AKOS028108295
    • GS-6009
    • DA-08604
    • SY048378
    • E0715
    • NS00021808
    • H10612
    • Q27253506

  • Applications

    Ethyl 4-pentenoate (CAS 1968-40-7) is an allyl ester bearing a terminal vinyl group, enabling straightforward functionalization and radical-type polymerization. In industry it is used as a versatile building block in organic synthesis, commonly employed as a monomer or comonomer to prepare functional polyesters and related resins with pendant allyl groups. In coatings and printed materials, it serves as a reactive diluent and a crosslinkable component for UV- or heat-curable formulations via thiol-ene or radical curing. It can function as an intermediate to introduce allyl functionality for fragrance chemistry and other specialty chemicals, and as a reactive site for crosslinking in adhesives formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 993.68
    methanol 1511.06
    isopropanol 759.77
    water 3.94
    ethyl acetate 420.53
    n-propanol 731.76
    acetone 618.65
    n-butanol 653.81
    acetonitrile 691.03
    DMF 1112.69
    toluene 259.41
    isobutanol 524.99
    1,4-dioxane 914.13
    methyl acetate 464.16
    THF 955.92
    2-butanone 542.39
    n-pentanol 523.71
    sec-butanol 676.6
    n-hexane 171.68
    ethylene glycol 211.39
    NMP 940.95
    cyclohexane 199.99
    DMSO 896.57
    n-butyl acetate 359.98
    n-octanol 273.76
    chloroform 1287.09
    n-propyl acetate 280.95
    acetic acid 972.69
    dichloromethane 1080.37
    cyclohexanone 750.44
    propylene glycol 257.86
    isopropyl acetate 241.36
    DMAc 988.09
    2-ethoxyethanol 561.08
    isopentanol 517.22
    n-heptane 75.95
    ethyl formate 342.77
    1,2-dichloroethane 597.74
    n-hexanol 511.37
    2-methoxyethanol 856.76
    isobutyl acetate 175.26
    tetrachloromethane 208.36
    n-pentyl acetate 247.18
    transcutol 1254.23
    n-heptanol 193.81
    ethylbenzene 203.03
    MIBK 239.47
    2-propoxyethanol 599.14
    tert-butanol 806.74
    MTBE 525.96
    2-butoxyethanol 301.83
    propionic acid 583.54
    o-xylene 200.83
    formic acid 326.31
    diethyl ether 518.82
    m-xylene 176.33
    p-xylene 273.41
    chlorobenzene 401.33
    dimethyl carbonate 133.63
    n-octane 35.62
    formamide 332.09
    cyclopentanone 715.14
    2-pentanone 397.79
    anisole 341.98
    cyclopentyl methyl ether 450.12
    gamma-butyrolactone 758.0
    1-methoxy-2-propanol 575.33
    pyridine 780.53
    3-pentanone 314.21
    furfural 735.04
    n-dodecane 33.45
    diethylene glycol 439.17
    diisopropyl ether 134.25
    tert-amyl alcohol 717.61
    acetylacetone 348.76
    n-hexadecane 37.21
    acetophenone 323.88
    methyl propionate 326.33
    isopentyl acetate 311.12
    trichloroethylene 1062.73
    n-nonanol 228.15
    cyclohexanol 597.52
    benzyl alcohol 341.76
    2-ethylhexanol 285.12
    isooctanol 160.2
    dipropyl ether 248.85
    1,2-dichlorobenzene 344.1
    ethyl lactate 158.96
    propylene carbonate 409.12
    n-methylformamide 545.15
    2-pentanol 432.7
    n-pentane 128.64
    1-propoxy-2-propanol 386.87
    1-methoxy-2-propyl acetate 260.84
    2-(2-methoxypropoxy) propanol 368.13
    mesitylene 122.79
    ε-caprolactone 621.71
    p-cymene 120.62
    epichlorohydrin 742.06
    1,1,1-trichloroethane 578.69
    2-aminoethanol 401.98
    morpholine-4-carbaldehyde 798.25
    sulfolane 866.25
    2,2,4-trimethylpentane 67.15
    2-methyltetrahydrofuran 768.22
    n-hexyl acetate 426.92
    isooctane 43.33
    2-(2-butoxyethoxy)ethanol 448.36
    sec-butyl acetate 191.68
    tert-butyl acetate 261.53
    decalin 96.77
    glycerin 319.79
    diglyme 703.67
    acrylic acid 532.58
    isopropyl myristate 155.71
    n-butyric acid 696.91
    acetyl acetate 265.0
    di(2-ethylhexyl) phthalate 172.93
    ethyl propionate 259.25
    nitromethane 964.47
    1,2-diethoxyethane 431.13
    benzonitrile 464.23
    trioctyl phosphate 120.89
    1-bromopropane 478.58
    gamma-valerolactone 858.98
    n-decanol 163.7
    triethyl phosphate 141.26
    4-methyl-2-pentanol 222.02
    propionitrile 565.89
    vinylene carbonate 431.82
    1,1,2-trichlorotrifluoroethane 594.97
    DMS 253.29
    cumene 147.54
    2-octanol 163.43
    2-hexanone 351.32
    octyl acetate 202.7
    limonene 189.23
    1,2-dimethoxyethane 860.16
    ethyl orthosilicate 140.43
    tributyl phosphate 155.98
    diacetone alcohol 322.27
    N,N-dimethylaniline 267.98
    acrylonitrile 613.82
    aniline 364.95
    1,3-propanediol 523.11
    bromobenzene 405.21
    dibromomethane 757.27
    1,1,2,2-tetrachloroethane 893.22
    2-methyl-cyclohexyl acetate 237.86
    tetrabutyl urea 211.04
    diisobutyl methanol 151.18
    2-phenylethanol 291.43
    styrene 268.11
    dioctyl adipate 231.07
    dimethyl sulfate 228.43
    ethyl butyrate 250.92
    methyl lactate 199.49
    butyl lactate 206.12
    diethyl carbonate 195.87
    propanediol butyl ether 316.67
    triethyl orthoformate 177.51
    p-tert-butyltoluene 114.38
    methyl 4-tert-butylbenzoate 267.84
    morpholine 1017.29
    tert-butylamine 569.78
    n-dodecanol 126.46
    dimethoxymethane 448.38
    ethylene carbonate 335.79
    cyrene 287.74
    2-ethoxyethyl acetate 286.74
    2-ethylhexyl acetate 242.5
    1,2,4-trichlorobenzene 392.63
    4-methylpyridine 763.59
    dibutyl ether 293.62
    2,6-dimethyl-4-heptanol 151.18
    DEF 591.65
    dimethyl isosorbide 453.16
    tetrachloroethylene 593.4
    eugenol 289.83
    triacetin 315.4
    span 80 334.95
    1,4-butanediol 258.38
    1,1-dichloroethane 653.5
    2-methyl-1-pentanol 465.95
    methyl formate 363.93
    2-methyl-1-butanol 520.9
    n-decane 53.57
    butyronitrile 611.6
    3,7-dimethyl-1-octanol 261.14
    1-chlorooctane 174.5
    1-chlorotetradecane 75.43
    n-nonane 54.89
    undecane 40.48
    tert-butylcyclohexane 90.13
    cyclooctane 53.75
    cyclopentanol 593.77
    tetrahydropyran 869.49
    tert-amyl methyl ether 399.02
    2,5,8-trioxanonane 545.88
    1-hexene 447.64
    2-isopropoxyethanol 374.05
    2,2,2-trifluoroethanol 233.92
    methyl butyrate 370.38

    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