2-Pentenoic acid propyl ester

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  • Identifiers

    CAS number
    62030-39-1

    Molecular formula
    C8H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 96.44%
    Green 73.69%
    Apple 70.2%
    Pineapple 59.58%
    Tropical 51.59%
    Sweet 47.96%
    Ethereal 46.5%
    Banana 45.5%
    Fresh 44.08%
    Winey 42.51%

     

    Flavor
    Fruity 63.6%
    Green 40.34%
    Tropical 29.14%
    Sweet 29.01%
    Pineapple 28.71%
    Pungent 27.36%
    Apple 27.24%
    Ethereal 25.67%
    Berry 24.84%
    Fatty 24.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.98 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 52.62 ˚C est.

  • Synonyms

    • 2-Pentenoic acid propyl ester
    • 62030-39-1
    • SCHEMBL691276
    • SCHEMBL4912235
    • SCHEMBL8678337
    • 62030-39-1

  • Applications

    2-Pentenoic acid propyl ester (CAS 62030-39-1) is used primarily as an intermediate in organic synthesis and as a fragrance ingredient, owing to its α,β-unsaturated ester structure, which also enables it to function as a reactive monomer or diluent in coatings, inks, and adhesives; it may be evaluated as a building block for specialty polymers and resins or as a component in cosmetic or flavor/fragrance formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1947.47
    methanol 2453.03
    isopropanol 1675.71
    water 1.23
    ethyl acetate 905.64
    n-propanol 1480.85
    acetone 1657.07
    n-butanol 1502.36
    acetonitrile 1126.64
    DMF 3191.25
    toluene 643.94
    isobutanol 1220.4
    1,4-dioxane 1553.43
    methyl acetate 911.65
    THF 1835.79
    2-butanone 1162.6
    n-pentanol 1144.01
    sec-butanol 1459.31
    n-hexane 386.77
    ethylene glycol 362.39
    NMP 1844.05
    cyclohexane 502.34
    DMSO 1912.57
    n-butyl acetate 1239.09
    n-octanol 712.04
    chloroform 3236.5
    n-propyl acetate 670.42
    acetic acid 1776.23
    dichloromethane 2713.73
    cyclohexanone 1728.5
    propylene glycol 552.36
    isopropyl acetate 592.58
    DMAc 1724.9
    2-ethoxyethanol 950.6
    isopentanol 1289.63
    n-heptane 205.87
    ethyl formate 818.06
    1,2-dichloroethane 1741.41
    n-hexanol 1413.03
    2-methoxyethanol 1627.15
    isobutyl acetate 455.65
    tetrachloromethane 488.91
    n-pentyl acetate 696.26
    transcutol 2465.24
    n-heptanol 560.64
    ethylbenzene 463.69
    MIBK 612.45
    2-propoxyethanol 1329.39
    tert-butanol 1806.69
    MTBE 1164.37
    2-butoxyethanol 766.38
    propionic acid 1080.69
    o-xylene 418.65
    formic acid 480.6
    diethyl ether 1019.6
    m-xylene 416.46
    p-xylene 585.49
    chlorobenzene 1064.65
    dimethyl carbonate 343.57
    n-octane 102.25
    formamide 551.67
    cyclopentanone 1651.69
    2-pentanone 1000.1
    anisole 757.46
    cyclopentyl methyl ether 956.46
    gamma-butyrolactone 1635.83
    1-methoxy-2-propanol 1199.13
    pyridine 1836.03
    3-pentanone 656.08
    furfural 1643.66
    n-dodecane 88.65
    diethylene glycol 888.41
    diisopropyl ether 311.0
    tert-amyl alcohol 1594.67
    acetylacetone 865.67
    n-hexadecane 99.21
    acetophenone 716.66
    methyl propionate 724.59
    isopentyl acetate 1057.86
    trichloroethylene 3120.75
    n-nonanol 567.79
    cyclohexanol 1362.86
    benzyl alcohol 725.13
    2-ethylhexanol 793.38
    isooctanol 456.36
    dipropyl ether 628.92
    1,2-dichlorobenzene 888.47
    ethyl lactate 360.73
    propylene carbonate 1068.0
    n-methylformamide 1200.3
    2-pentanol 1114.21
    n-pentane 294.31
    1-propoxy-2-propanol 1031.21
    1-methoxy-2-propyl acetate 738.56
    2-(2-methoxypropoxy) propanol 728.42
    mesitylene 286.85
    ε-caprolactone 1403.71
    p-cymene 308.37
    epichlorohydrin 1869.34
    1,1,1-trichloroethane 1568.8
    2-aminoethanol 747.42
    morpholine-4-carbaldehyde 1485.36
    sulfolane 1909.63
    2,2,4-trimethylpentane 144.67
    2-methyltetrahydrofuran 1511.87
    n-hexyl acetate 1030.28
    isooctane 118.07
    2-(2-butoxyethoxy)ethanol 961.01
    sec-butyl acetate 465.24
    tert-butyl acetate 640.95
    decalin 215.35
    glycerin 585.92
    diglyme 1619.64
    acrylic acid 989.5
    isopropyl myristate 381.58
    n-butyric acid 1605.76
    acetyl acetate 572.58
    di(2-ethylhexyl) phthalate 359.47
    ethyl propionate 564.53
    nitromethane 1773.66
    1,2-diethoxyethane 964.25
    benzonitrile 1123.33
    trioctyl phosphate 276.88
    1-bromopropane 1330.21
    gamma-valerolactone 1846.27
    n-decanol 402.66
    triethyl phosphate 313.22
    4-methyl-2-pentanol 565.23
    propionitrile 1149.81
    vinylene carbonate 1097.01
    1,1,2-trichlorotrifluoroethane 1374.02
    DMS 556.9
    cumene 313.04
    2-octanol 466.1
    2-hexanone 872.79
    octyl acetate 495.76
    limonene 490.85
    1,2-dimethoxyethane 1672.37
    ethyl orthosilicate 312.14
    tributyl phosphate 349.31
    diacetone alcohol 776.5
    N,N-dimethylaniline 558.45
    acrylonitrile 1343.77
    aniline 831.13
    1,3-propanediol 1032.77
    bromobenzene 1149.01
    dibromomethane 2030.98
    1,1,2,2-tetrachloroethane 2611.07
    2-methyl-cyclohexyl acetate 533.44
    tetrabutyl urea 483.45
    diisobutyl methanol 411.76
    2-phenylethanol 761.45
    styrene 659.17
    dioctyl adipate 522.66
    dimethyl sulfate 493.93
    ethyl butyrate 671.08
    methyl lactate 444.84
    butyl lactate 551.49
    diethyl carbonate 496.14
    propanediol butyl ether 837.05
    triethyl orthoformate 465.39
    p-tert-butyltoluene 292.0
    methyl 4-tert-butylbenzoate 600.97
    morpholine 2061.12
    tert-butylamine 1314.61
    n-dodecanol 309.25
    dimethoxymethane 1021.34
    ethylene carbonate 841.62
    cyrene 494.4
    2-ethoxyethyl acetate 685.13
    2-ethylhexyl acetate 788.41
    1,2,4-trichlorobenzene 930.97
    4-methylpyridine 1900.12
    dibutyl ether 725.27
    2,6-dimethyl-4-heptanol 411.76
    DEF 1388.91
    dimethyl isosorbide 891.54
    tetrachloroethylene 1637.09
    eugenol 674.76
    triacetin 652.75
    span 80 749.02
    1,4-butanediol 546.22
    1,1-dichloroethane 1876.57
    2-methyl-1-pentanol 1057.94
    methyl formate 828.17
    2-methyl-1-butanol 1245.25
    n-decane 142.85
    butyronitrile 1455.78
    3,7-dimethyl-1-octanol 628.08
    1-chlorooctane 482.47
    1-chlorotetradecane 199.53
    n-nonane 150.09
    undecane 108.27
    tert-butylcyclohexane 203.08
    cyclooctane 136.98
    cyclopentanol 1321.72
    tetrahydropyran 1873.36
    tert-amyl methyl ether 832.75
    2,5,8-trioxanonane 1107.15
    1-hexene 1023.47
    2-isopropoxyethanol 681.96
    2,2,2-trifluoroethanol 390.18
    methyl butyrate 906.85

    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