4-Pentenoic acid propyl ester

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  • Identifiers

    CAS number
    62030-43-7

    Molecular formula
    C8H14O2

    SMILES
    CCCOC(=O)CCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.52%
    Green 64.25%
    Pineapple 62.25%
    Apple 47.07%
    Tropical 46.27%
    Ethereal 44.24%
    Sweet 42.68%
    Winey 38.4%
    Caramellic 34.1%
    Rummy 33.86%

     

    Flavor
    Fruity 81.74%
    Pineapple 56.17%
    Tropical 39.24%
    Apple 36.21%
    Sweet 35.08%
    Green 33.05%
    Berry 31.1%
    Fruit 28.39%
    Rum 27.81%
    Ethereal 26.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.01 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point

    • 48.94 ˚C est.

  • Synonyms

    • 4-Pentenoic acid propyl ester
    • propyl pent-4-enoate
    • 62030-43-7
    • SCHEMBL515043
    • DTXSID60211094
    • AKOS017326487
    • 62030-43-7

  • Applications

    4-Pentenoic acid propyl ester (CAS 62030-43-7) is primarily used as a reactive monomer and synthetic intermediate in the production of polymers, coatings, and adhesives, leveraging its alkenyl functionality to participate in polymerization and crosslinking to form durable resin systems. It also serves as an intermediate for polyesters and other specialty polymers in various formulation workflows. In coatings and adhesives, it can act as a crosslinkable component in UV-curable formulations, and in fragrance-related contexts it may be evaluated as a fragrance precursor or odorant ingredient under regulatory controls, with further uses in specialty chemicals considered within local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1102.93
    methanol 1550.43
    isopropanol 871.94
    water 1.52
    ethyl acetate 494.95
    n-propanol 795.36
    acetone 778.0
    n-butanol 802.65
    acetonitrile 612.34
    DMF 1269.82
    toluene 309.83
    isobutanol 639.49
    1,4-dioxane 881.1
    methyl acetate 496.6
    THF 1007.89
    2-butanone 651.78
    n-pentanol 693.36
    sec-butanol 813.07
    n-hexane 208.5
    ethylene glycol 196.65
    NMP 922.85
    cyclohexane 212.62
    DMSO 1004.42
    n-butyl acetate 709.41
    n-octanol 425.31
    chloroform 1618.03
    n-propyl acetate 403.59
    acetic acid 970.33
    dichloromethane 1372.5
    cyclohexanone 910.43
    propylene glycol 288.77
    isopropyl acetate 336.61
    DMAc 1036.49
    2-ethoxyethanol 645.8
    isopentanol 710.8
    n-heptane 112.17
    ethyl formate 427.91
    1,2-dichloroethane 781.23
    n-hexanol 808.27
    2-methoxyethanol 880.9
    isobutyl acetate 293.59
    tetrachloromethane 231.88
    n-pentyl acetate 405.93
    transcutol 1712.04
    n-heptanol 321.41
    ethylbenzene 275.9
    MIBK 348.32
    2-propoxyethanol 821.45
    tert-butanol 975.75
    MTBE 682.06
    2-butoxyethanol 460.69
    propionic acid 605.91
    o-xylene 252.38
    formic acid 266.04
    diethyl ether 546.56
    m-xylene 234.76
    p-xylene 371.72
    chlorobenzene 511.23
    dimethyl carbonate 156.39
    n-octane 55.35
    formamide 283.03
    cyclopentanone 843.88
    2-pentanone 512.23
    anisole 447.9
    cyclopentyl methyl ether 491.72
    gamma-butyrolactone 827.92
    1-methoxy-2-propanol 645.76
    pyridine 881.48
    3-pentanone 363.71
    furfural 849.8
    n-dodecane 53.13
    diethylene glycol 536.39
    diisopropyl ether 178.92
    tert-amyl alcohol 937.15
    acetylacetone 447.9
    n-hexadecane 59.12
    acetophenone 444.73
    methyl propionate 360.32
    isopentyl acetate 606.07
    trichloroethylene 1410.12
    n-nonanol 354.08
    cyclohexanol 700.54
    benzyl alcohol 437.63
    2-ethylhexanol 486.14
    isooctanol 271.82
    dipropyl ether 373.15
    1,2-dichlorobenzene 453.02
    ethyl lactate 214.22
    propylene carbonate 540.02
    n-methylformamide 563.17
    2-pentanol 575.76
    n-pentane 142.28
    1-propoxy-2-propanol 614.21
    1-methoxy-2-propyl acetate 427.63
    2-(2-methoxypropoxy) propanol 512.86
    mesitylene 162.29
    ε-caprolactone 751.77
    p-cymene 193.07
    epichlorohydrin 900.95
    1,1,1-trichloroethane 733.07
    2-aminoethanol 414.84
    morpholine-4-carbaldehyde 818.7
    sulfolane 960.79
    2,2,4-trimethylpentane 86.75
    2-methyltetrahydrofuran 864.15
    n-hexyl acetate 617.59
    isooctane 63.27
    2-(2-butoxyethoxy)ethanol 619.79
    sec-butyl acetate 292.58
    tert-butyl acetate 366.56
    decalin 122.69
    glycerin 329.05
    diglyme 997.97
    acrylic acid 540.47
    isopropyl myristate 244.83
    n-butyric acid 855.67
    acetyl acetate 333.46
    di(2-ethylhexyl) phthalate 242.08
    ethyl propionate 327.57
    nitromethane 922.92
    1,2-diethoxyethane 653.02
    benzonitrile 618.5
    trioctyl phosphate 180.14
    1-bromopropane 604.34
    gamma-valerolactone 962.19
    n-decanol 256.4
    triethyl phosphate 211.45
    4-methyl-2-pentanol 323.34
    propionitrile 577.19
    vinylene carbonate 545.82
    1,1,2-trichlorotrifluoroethane 696.83
    DMS 333.92
    cumene 204.7
    2-octanol 268.11
    2-hexanone 535.36
    octyl acetate 314.68
    limonene 292.09
    1,2-dimethoxyethane 1061.11
    ethyl orthosilicate 210.04
    tributyl phosphate 226.41
    diacetone alcohol 430.37
    N,N-dimethylaniline 350.52
    acrylonitrile 662.49
    aniline 402.21
    1,3-propanediol 548.41
    bromobenzene 537.44
    dibromomethane 993.27
    1,1,2,2-tetrachloroethane 1164.14
    2-methyl-cyclohexyl acetate 360.94
    tetrabutyl urea 306.97
    diisobutyl methanol 248.0
    2-phenylethanol 436.65
    styrene 375.92
    dioctyl adipate 346.95
    dimethyl sulfate 251.0
    ethyl butyrate 418.72
    methyl lactate 232.86
    butyl lactate 328.72
    diethyl carbonate 306.33
    propanediol butyl ether 484.6
    triethyl orthoformate 287.75
    p-tert-butyltoluene 175.55
    methyl 4-tert-butylbenzoate 375.95
    morpholine 1059.05
    tert-butylamine 719.34
    n-dodecanol 200.83
    dimethoxymethane 493.6
    ethylene carbonate 428.14
    cyrene 344.96
    2-ethoxyethyl acetate 430.39
    2-ethylhexyl acetate 463.23
    1,2,4-trichlorobenzene 497.39
    4-methylpyridine 911.33
    dibutyl ether 459.49
    2,6-dimethyl-4-heptanol 248.0
    DEF 679.1
    dimethyl isosorbide 591.49
    tetrachloroethylene 761.37
    eugenol 401.1
    triacetin 438.0
    span 80 469.95
    1,4-butanediol 329.81
    1,1-dichloroethane 834.24
    2-methyl-1-pentanol 670.62
    methyl formate 382.35
    2-methyl-1-butanol 684.68
    n-decane 84.52
    butyronitrile 735.58
    3,7-dimethyl-1-octanol 406.26
    1-chlorooctane 271.19
    1-chlorotetradecane 120.36
    n-nonane 86.44
    undecane 64.85
    tert-butylcyclohexane 120.25
    cyclooctane 63.31
    cyclopentanol 637.57
    tetrahydropyran 961.24
    tert-amyl methyl ether 509.81
    2,5,8-trioxanonane 739.71
    1-hexene 583.18
    2-isopropoxyethanol 476.79
    2,2,2-trifluoroethanol 215.01
    methyl butyrate 524.25

    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