4-Pentenoic acid isopropyl ester

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  • Identifiers

    CAS number
    62030-44-8

    Molecular formula
    C8H14O2

    SMILES
    CC(C)OC(=O)CCC=C

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  • Odor profile

    Fragrance
    Fruity 94.49%
    Pineapple 60.92%
    Green 57.27%
    Apple 47.31%
    Tropical 46.05%
    Cheesy 42.28%
    Ethereal 41.35%
    Sweet 39.99%
    Banana 34.86%
    Ripe 32.91%

     

    Flavor
    Fruity 76.71%
    Pineapple 43.65%
    Tropical 41.56%
    Cheese 29.28%
    Berry 28.72%
    Sweet 25.02%
    Ripe 22.82%
    Ethereal 22.39%
    Fresh 22.09%
    Animal 22.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.23 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 42.66 ˚C est.

  • Synonyms

    • 4-Pentenoic acid isopropyl ester
    • 62030-44-8
    • DTXSID20211095
    • RefChem:295331
    • DTXCID20133586
    • propan-2-yl pent-4-enoate
    • Isopropylallylacetat
    • SCHEMBL514518
    • AKOS017326486
    • 62030-44-8

  • Applications

    4-Pentenoic acid isopropyl ester (CAS 62030-44-8) is primarily used as a reactive monomer in radical polymerization to prepare functional polymers and polyesters with pendant allyl groups. It also serves as a crosslinking/curable monomer in UV- and free-radically cured coatings, inks, and adhesive formulations, enabling network formation through the allyl functionality. As a reactive diluent, it can help adjust viscosity in resin systems while contributing to subsequent curing. In organic synthesis, it is employed as an intermediate to access allyl-containing esters and related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 803.23
    methanol 1173.22
    isopropanol 769.34
    water 5.89
    ethyl acetate 389.98
    n-propanol 679.45
    acetone 622.33
    n-butanol 685.43
    acetonitrile 428.05
    DMF 981.97
    toluene 248.12
    isobutanol 587.3
    1,4-dioxane 762.36
    methyl acetate 417.49
    THF 990.35
    2-butanone 502.3
    n-pentanol 512.25
    sec-butanol 727.89
    n-hexane 266.79
    ethylene glycol 199.06
    NMP 1026.86
    cyclohexane 256.79
    DMSO 638.4
    n-butyl acetate 338.67
    n-octanol 313.5
    chloroform 1176.27
    n-propyl acetate 230.76
    acetic acid 904.05
    dichloromethane 748.26
    cyclohexanone 794.72
    propylene glycol 309.9
    isopropyl acetate 278.82
    DMAc 1045.7
    2-ethoxyethanol 430.08
    isopentanol 563.88
    n-heptane 90.63
    ethyl formate 282.08
    1,2-dichloroethane 439.97
    n-hexanol 636.59
    2-methoxyethanol 743.92
    isobutyl acetate 177.36
    tetrachloromethane 192.47
    n-pentyl acetate 238.42
    transcutol 1035.6
    n-heptanol 218.84
    ethylbenzene 195.3
    MIBK 271.52
    2-propoxyethanol 640.19
    tert-butanol 872.74
    MTBE 587.63
    2-butoxyethanol 280.83
    propionic acid 585.97
    o-xylene 197.84
    formic acid 274.65
    diethyl ether 507.57
    m-xylene 195.39
    p-xylene 257.2
    chlorobenzene 329.71
    dimethyl carbonate 139.12
    n-octane 41.34
    formamide 207.06
    cyclopentanone 686.82
    2-pentanone 418.44
    anisole 280.85
    cyclopentyl methyl ether 548.04
    gamma-butyrolactone 741.69
    1-methoxy-2-propanol 598.68
    pyridine 510.52
    3-pentanone 349.29
    furfural 607.11
    n-dodecane 38.68
    diethylene glycol 429.93
    diisopropyl ether 168.12
    tert-amyl alcohol 781.08
    acetylacetone 375.82
    n-hexadecane 42.06
    acetophenone 273.8
    methyl propionate 323.53
    isopentyl acetate 328.23
    trichloroethylene 811.5
    n-nonanol 258.09
    cyclohexanol 673.98
    benzyl alcohol 288.11
    2-ethylhexanol 320.22
    isooctanol 174.52
    dipropyl ether 243.61
    1,2-dichlorobenzene 302.95
    ethyl lactate 149.14
    propylene carbonate 447.54
    n-methylformamide 399.48
    2-pentanol 491.65
    n-pentane 186.37
    1-propoxy-2-propanol 424.07
    1-methoxy-2-propyl acetate 294.24
    2-(2-methoxypropoxy) propanol 351.15
    mesitylene 133.9
    ε-caprolactone 674.92
    p-cymene 120.63
    epichlorohydrin 625.43
    1,1,1-trichloroethane 521.73
    2-aminoethanol 350.59
    morpholine-4-carbaldehyde 760.97
    sulfolane 820.58
    2,2,4-trimethylpentane 90.38
    2-methyltetrahydrofuran 818.33
    n-hexyl acetate 457.97
    isooctane 57.15
    2-(2-butoxyethoxy)ethanol 432.93
    sec-butyl acetate 190.48
    tert-butyl acetate 312.78
    decalin 114.88
    glycerin 354.66
    diglyme 591.56
    acrylic acid 480.68
    isopropyl myristate 167.11
    n-butyric acid 688.13
    acetyl acetate 272.36
    di(2-ethylhexyl) phthalate 182.96
    ethyl propionate 238.06
    nitromethane 743.84
    1,2-diethoxyethane 342.83
    benzonitrile 341.58
    trioctyl phosphate 132.65
    1-bromopropane 427.51
    gamma-valerolactone 818.94
    n-decanol 186.71
    triethyl phosphate 134.93
    4-methyl-2-pentanol 260.79
    propionitrile 399.26
    vinylene carbonate 407.12
    1,1,2-trichlorotrifluoroethane 568.28
    DMS 261.62
    cumene 144.49
    2-octanol 185.31
    2-hexanone 318.2
    octyl acetate 219.96
    limonene 206.18
    1,2-dimethoxyethane 731.76
    ethyl orthosilicate 138.31
    tributyl phosphate 163.75
    diacetone alcohol 363.97
    N,N-dimethylaniline 234.62
    acrylonitrile 405.78
    aniline 300.53
    1,3-propanediol 479.38
    bromobenzene 333.56
    dibromomethane 582.2
    1,1,2,2-tetrachloroethane 781.79
    2-methyl-cyclohexyl acetate 248.51
    tetrabutyl urea 214.49
    diisobutyl methanol 161.93
    2-phenylethanol 288.63
    styrene 220.44
    dioctyl adipate 229.92
    dimethyl sulfate 247.15
    ethyl butyrate 218.2
    methyl lactate 216.42
    butyl lactate 208.33
    diethyl carbonate 161.81
    propanediol butyl ether 353.1
    triethyl orthoformate 176.6
    p-tert-butyltoluene 120.53
    methyl 4-tert-butylbenzoate 268.38
    morpholine 879.43
    tert-butylamine 574.96
    n-dodecanol 142.56
    dimethoxymethane 430.45
    ethylene carbonate 343.45
    cyrene 291.38
    2-ethoxyethyl acetate 261.55
    2-ethylhexyl acetate 260.9
    1,2,4-trichlorobenzene 350.8
    4-methylpyridine 594.86
    dibutyl ether 292.62
    2,6-dimethyl-4-heptanol 161.93
    DEF 544.63
    dimethyl isosorbide 469.55
    tetrachloroethylene 517.15
    eugenol 259.35
    triacetin 338.29
    span 80 345.85
    1,4-butanediol 237.86
    1,1-dichloroethane 555.75
    2-methyl-1-pentanol 484.14
    methyl formate 289.83
    2-methyl-1-butanol 572.0
    n-decane 63.04
    butyronitrile 464.92
    3,7-dimethyl-1-octanol 292.6
    1-chlorooctane 197.49
    1-chlorotetradecane 82.57
    n-nonane 64.65
    undecane 46.96
    tert-butylcyclohexane 113.84
    cyclooctane 75.21
    cyclopentanol 653.14
    tetrahydropyran 874.48
    tert-amyl methyl ether 465.26
    2,5,8-trioxanonane 457.94
    1-hexene 481.96
    2-isopropoxyethanol 328.72
    2,2,2-trifluoroethanol 235.43
    methyl butyrate 312.55

    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