3-Pentenoic acid propyl ester

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  • Identifiers

    CAS number
    62030-40-4

    Molecular formula
    C8H14O2

    SMILES
    CCCOC(=O)C/C=C/C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.18%
    Green 70.31%
    Apple 61.07%
    Pineapple 55.57%
    Tropical 52.4%
    Sweet 46.07%
    Winey 41.21%
    Fresh 40.75%
    Pear 36.24%
    Banana 33.44%

     

    Flavor
    Fruity 60.66%
    Green 41.63%
    Tropical 35.8%
    Pineapple 34.53%
    Apple 31.23%
    Sweet 30.7%
    Ethereal 27.92%
    Fresh 27.47%
    Pungent 24.98%
    Rum 23.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.35 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point

    • 51.52 ˚C est.

  • Synonyms

    • 3-Pentenoic acid propyl ester
    • 62030-40-4
    • SCHEMBL9579787
    • 62030-40-4

  • Applications

    3-Pentenoic acid propyl ester is primarily used as a reactive monomer and synthesis intermediate in polymer chemistry. It serves as a co-monomer or crosslinking component in UV-curable coatings, inks, and adhesives, enabling rapid cure and strong adhesion. It is also employed as an intermediate for specialty polymers and functional materials, including elastomer and thermoset formulations. Additionally, because of its unsaturated (olefinic) functionality, it can participate in radical polymerizations for electronics coatings and other advanced applications, with use limited by formulation-specific constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1303.16
    methanol 1643.66
    isopropanol 1104.05
    water 1.53
    ethyl acetate 489.0
    n-propanol 938.28
    acetone 813.13
    n-butanol 915.6
    acetonitrile 641.26
    DMF 1536.17
    toluene 370.32
    isobutanol 743.24
    1,4-dioxane 1049.19
    methyl acetate 498.23
    THF 1117.84
    2-butanone 635.07
    n-pentanol 725.22
    sec-butanol 936.6
    n-hexane 240.59
    ethylene glycol 277.38
    NMP 974.12
    cyclohexane 288.84
    DMSO 1102.28
    n-butyl acetate 589.67
    n-octanol 435.01
    chloroform 2077.11
    n-propyl acetate 347.18
    acetic acid 1052.82
    dichloromethane 1565.33
    cyclohexanone 938.66
    propylene glycol 419.72
    isopropyl acetate 324.91
    DMAc 1071.81
    2-ethoxyethanol 663.52
    isopentanol 795.55
    n-heptane 123.03
    ethyl formate 398.54
    1,2-dichloroethane 854.27
    n-hexanol 867.97
    2-methoxyethanol 1058.83
    isobutyl acetate 256.04
    tetrachloromethane 312.95
    n-pentyl acetate 354.46
    transcutol 1649.14
    n-heptanol 340.52
    ethylbenzene 284.97
    MIBK 338.15
    2-propoxyethanol 834.03
    tert-butanol 1248.57
    MTBE 755.61
    2-butoxyethanol 483.11
    propionic acid 657.5
    o-xylene 260.58
    formic acid 296.83
    diethyl ether 576.37
    m-xylene 257.1
    p-xylene 363.38
    chlorobenzene 564.52
    dimethyl carbonate 170.54
    n-octane 58.83
    formamide 302.76
    cyclopentanone 871.52
    2-pentanone 506.84
    anisole 453.2
    cyclopentyl methyl ether 542.27
    gamma-butyrolactone 835.66
    1-methoxy-2-propanol 789.29
    pyridine 991.53
    3-pentanone 351.52
    furfural 858.16
    n-dodecane 54.62
    diethylene glycol 626.04
    diisopropyl ether 180.19
    tert-amyl alcohol 1078.08
    acetylacetone 458.98
    n-hexadecane 60.05
    acetophenone 419.02
    methyl propionate 364.77
    isopentyl acetate 522.53
    trichloroethylene 1653.07
    n-nonanol 357.94
    cyclohexanol 835.22
    benzyl alcohol 461.11
    2-ethylhexanol 490.58
    isooctanol 281.65
    dipropyl ether 359.4
    1,2-dichlorobenzene 480.45
    ethyl lactate 223.89
    propylene carbonate 533.74
    n-methylformamide 598.86
    2-pentanol 672.78
    n-pentane 172.96
    1-propoxy-2-propanol 621.72
    1-methoxy-2-propyl acetate 410.8
    2-(2-methoxypropoxy) propanol 519.77
    mesitylene 178.2
    ε-caprolactone 741.68
    p-cymene 182.07
    epichlorohydrin 956.05
    1,1,1-trichloroethane 876.34
    2-aminoethanol 551.32
    morpholine-4-carbaldehyde 894.97
    sulfolane 1014.49
    2,2,4-trimethylpentane 94.49
    2-methyltetrahydrofuran 945.32
    n-hexyl acetate 560.34
    isooctane 71.16
    2-(2-butoxyethoxy)ethanol 629.97
    sec-butyl acetate 263.5
    tert-butyl acetate 358.58
    decalin 134.51
    glycerin 463.85
    diglyme 1015.17
    acrylic acid 592.47
    isopropyl myristate 225.29
    n-butyric acid 907.01
    acetyl acetate 325.54
    di(2-ethylhexyl) phthalate 232.4
    ethyl propionate 303.76
    nitromethane 909.89
    1,2-diethoxyethane 578.76
    benzonitrile 619.3
    trioctyl phosphate 172.23
    1-bromopropane 706.94
    gamma-valerolactone 1002.08
    n-decanol 258.74
    triethyl phosphate 194.81
    4-methyl-2-pentanol 351.59
    propionitrile 626.09
    vinylene carbonate 548.84
    1,1,2-trichlorotrifluoroethane 830.5
    DMS 323.6
    cumene 198.8
    2-octanol 271.85
    2-hexanone 471.86
    octyl acetate 291.35
    limonene 288.96
    1,2-dimethoxyethane 1022.97
    ethyl orthosilicate 195.3
    tributyl phosphate 211.2
    diacetone alcohol 466.89
    N,N-dimethylaniline 359.02
    acrylonitrile 701.08
    aniline 495.84
    1,3-propanediol 703.26
    bromobenzene 585.33
    dibromomethane 1170.28
    1,1,2,2-tetrachloroethane 1438.69
    2-methyl-cyclohexyl acetate 320.01
    tetrabutyl urea 288.64
    diisobutyl methanol 250.78
    2-phenylethanol 456.56
    styrene 397.18
    dioctyl adipate 323.22
    dimethyl sulfate 270.92
    ethyl butyrate 355.19
    methyl lactate 268.36
    butyl lactate 313.11
    diethyl carbonate 270.89
    propanediol butyl ether 530.43
    triethyl orthoformate 262.3
    p-tert-butyltoluene 175.95
    methyl 4-tert-butylbenzoate 382.58
    morpholine 1290.65
    tert-butylamine 898.49
    n-dodecanol 202.6
    dimethoxymethane 540.42
    ethylene carbonate 420.17
    cyrene 358.35
    2-ethoxyethyl acetate 395.68
    2-ethylhexyl acetate 402.95
    1,2,4-trichlorobenzene 528.59
    4-methylpyridine 991.52
    dibutyl ether 414.81
    2,6-dimethyl-4-heptanol 250.78
    DEF 696.57
    dimethyl isosorbide 586.24
    tetrachloroethylene 885.46
    eugenol 419.02
    triacetin 423.95
    span 80 496.1
    1,4-butanediol 382.0
    1,1-dichloroethane 997.2
    2-methyl-1-pentanol 660.63
    methyl formate 401.03
    2-methyl-1-butanol 765.69
    n-decane 85.44
    butyronitrile 785.99
    3,7-dimethyl-1-octanol 393.81
    1-chlorooctane 277.92
    1-chlorotetradecane 122.25
    n-nonane 89.3
    undecane 66.12
    tert-butylcyclohexane 130.35
    cyclooctane 78.08
    cyclopentanol 790.98
    tetrahydropyran 1109.27
    tert-amyl methyl ether 543.68
    2,5,8-trioxanonane 748.05
    1-hexene 610.22
    2-isopropoxyethanol 482.68
    2,2,2-trifluoroethanol 246.47
    methyl butyrate 464.49

    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