4-Pentenoic acid butyl ester

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  • Identifiers

    CAS number
    22874-80-2

    Molecular formula
    C9H16O2

    SMILES
    CCCCOC(=O)CCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.22%
    Green 68.59%
    Pineapple 62.3%
    Apple 48.87%
    Tropical 48.45%
    Sweet 42.21%
    Ethereal 41.09%
    Winey 39.82%
    Cheesy 36.17%
    Banana 35.62%

     

    Flavor
    Fruity 82.87%
    Pineapple 60.06%
    Tropical 43.25%
    Apple 40.6%
    Green 39.79%
    Sweet 35.07%
    Fruit 33.27%
    Pear 30.86%
    Berry 30.7%
    Rum 28.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.97 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 64.0 ˚C est.

  • Synonyms

    • 4-Pentenoic acid butyl ester
    • 22874-80-2
    • DTXSID70177415
    • RefChem:295330
    • DTXCID4099906
    • butyl pent-4-enoate
    • SCHEMBL514195
    • SCHEMBL27402777
    • AKOS017326483
    • 22874-80-2

  • Applications

    4-Pentenoic acid butyl ester (CAS 22874-80-2) is used as a vinyl monomer suitable for copolymerization with other monomers to form coatings, resins, and specialty polymers. It can act as a reactive diluent or plasticizer in UV-curable coating and adhesive formulations, enabling crosslinking and adjustment of mechanical properties. It serves as an industrial intermediate for the synthesis of specialty monomers and functional polymers, allowing incorporation of pendant vinyl functionality into polymer backbones. As a precursor for advanced materials, it is evaluated for use in polymer systems with pendant and crosslinkable characteristics, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1503.79
    methanol 1836.75
    isopropanol 1152.7
    water 0.61
    ethyl acetate 748.2
    n-propanol 1057.64
    acetone 1151.79
    n-butanol 1043.07
    acetonitrile 784.62
    DMF 1388.88
    toluene 374.95
    isobutanol 829.41
    1,4-dioxane 1209.89
    methyl acetate 637.72
    THF 1478.66
    2-butanone 845.31
    n-pentanol 817.14
    sec-butanol 1011.27
    n-hexane 255.72
    ethylene glycol 175.46
    NMP 1026.36
    cyclohexane 332.34
    DMSO 1337.73
    n-butyl acetate 969.59
    n-octanol 427.11
    chloroform 1956.16
    n-propyl acetate 546.32
    acetic acid 1199.66
    dichloromethane 1712.24
    cyclohexanone 1299.91
    propylene glycol 298.41
    isopropyl acetate 489.77
    DMAc 1031.46
    2-ethoxyethanol 684.16
    isopentanol 872.97
    n-heptane 122.14
    ethyl formate 512.26
    1,2-dichloroethane 1016.98
    n-hexanol 942.44
    2-methoxyethanol 1019.07
    isobutyl acetate 370.06
    tetrachloromethane 242.49
    n-pentyl acetate 480.14
    transcutol 2304.17
    n-heptanol 336.99
    ethylbenzene 300.01
    MIBK 419.49
    2-propoxyethanol 948.68
    tert-butanol 1218.27
    MTBE 802.21
    2-butoxyethanol 494.45
    propionic acid 725.18
    o-xylene 275.36
    formic acid 255.27
    diethyl ether 777.19
    m-xylene 266.05
    p-xylene 391.27
    chlorobenzene 624.29
    dimethyl carbonate 167.35
    n-octane 52.73
    formamide 298.13
    cyclopentanone 1086.16
    2-pentanone 706.1
    anisole 496.61
    cyclopentyl methyl ether 690.33
    gamma-butyrolactone 1068.91
    1-methoxy-2-propanol 771.23
    pyridine 1128.11
    3-pentanone 461.66
    furfural 959.56
    n-dodecane 46.31
    diethylene glycol 559.77
    diisopropyl ether 230.02
    tert-amyl alcohol 1059.04
    acetylacetone 637.16
    n-hexadecane 52.52
    acetophenone 477.39
    methyl propionate 471.57
    isopentyl acetate 783.19
    trichloroethylene 1848.0
    n-nonanol 357.17
    cyclohexanol 959.32
    benzyl alcohol 475.12
    2-ethylhexanol 565.67
    isooctanol 282.15
    dipropyl ether 482.12
    1,2-dichlorobenzene 542.83
    ethyl lactate 235.18
    propylene carbonate 664.95
    n-methylformamide 580.25
    2-pentanol 754.24
    n-pentane 165.8
    1-propoxy-2-propanol 754.4
    1-methoxy-2-propyl acetate 562.04
    2-(2-methoxypropoxy) propanol 536.19
    mesitylene 183.66
    ε-caprolactone 1047.48
    p-cymene 200.64
    epichlorohydrin 1200.42
    1,1,1-trichloroethane 964.55
    2-aminoethanol 426.67
    morpholine-4-carbaldehyde 928.37
    sulfolane 1200.07
    2,2,4-trimethylpentane 83.3
    2-methyltetrahydrofuran 1191.43
    n-hexyl acetate 714.32
    isooctane 66.6
    2-(2-butoxyethoxy)ethanol 709.92
    sec-butyl acetate 379.78
    tert-butyl acetate 478.72
    decalin 136.45
    glycerin 318.61
    diglyme 1155.95
    acrylic acid 571.26
    isopropyl myristate 265.31
    n-butyric acid 1209.35
    acetyl acetate 478.82
    di(2-ethylhexyl) phthalate 252.13
    ethyl propionate 416.62
    nitromethane 1166.6
    1,2-diethoxyethane 806.45
    benzonitrile 685.45
    trioctyl phosphate 179.39
    1-bromopropane 813.88
    gamma-valerolactone 1171.45
    n-decanol 257.92
    triethyl phosphate 228.69
    4-methyl-2-pentanol 373.46
    propionitrile 720.08
    vinylene carbonate 624.62
    1,1,2-trichlorotrifluoroethane 836.66
    DMS 388.35
    cumene 207.04
    2-octanol 274.95
    2-hexanone 642.5
    octyl acetate 335.45
    limonene 327.53
    1,2-dimethoxyethane 1183.66
    ethyl orthosilicate 223.2
    tributyl phosphate 244.14
    diacetone alcohol 525.69
    N,N-dimethylaniline 352.76
    acrylonitrile 752.1
    aniline 497.43
    1,3-propanediol 639.89
    bromobenzene 661.42
    dibromomethane 1261.0
    1,1,2,2-tetrachloroethane 1563.53
    2-methyl-cyclohexyl acetate 423.5
    tetrabutyl urea 312.11
    diisobutyl methanol 272.63
    2-phenylethanol 490.15
    styrene 410.17
    dioctyl adipate 390.02
    dimethyl sulfate 258.54
    ethyl butyrate 533.9
    methyl lactate 256.13
    butyl lactate 380.67
    diethyl carbonate 355.09
    propanediol butyl ether 508.86
    triethyl orthoformate 349.77
    p-tert-butyltoluene 186.22
    methyl 4-tert-butylbenzoate 392.07
    morpholine 1488.81
    tert-butylamine 850.06
    n-dodecanol 197.82
    dimethoxymethane 577.43
    ethylene carbonate 528.59
    cyrene 370.76
    2-ethoxyethyl acetate 525.35
    2-ethylhexyl acetate 588.69
    1,2,4-trichlorobenzene 593.22
    4-methylpyridine 1122.2
    dibutyl ether 530.02
    2,6-dimethyl-4-heptanol 272.63
    DEF 829.04
    dimethyl isosorbide 677.88
    tetrachloroethylene 973.85
    eugenol 418.86
    triacetin 501.62
    span 80 548.77
    1,4-butanediol 305.1
    1,1-dichloroethane 1116.37
    2-methyl-1-pentanol 718.92
    methyl formate 385.56
    2-methyl-1-butanol 826.84
    n-decane 80.22
    butyronitrile 954.13
    3,7-dimethyl-1-octanol 421.62
    1-chlorooctane 278.09
    1-chlorotetradecane 114.55
    n-nonane 81.48
    undecane 58.27
    tert-butylcyclohexane 121.07
    cyclooctane 80.02
    cyclopentanol 828.21
    tetrahydropyran 1448.83
    tert-amyl methyl ether 565.17
    2,5,8-trioxanonane 807.2
    1-hexene 721.36
    2-isopropoxyethanol 515.79
    2,2,2-trifluoroethanol 232.8
    methyl butyrate 679.62

    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