ethyl (Z)-3-pentenoate

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  • Identifiers

    CAS number
    27829-70-5

    Molecular formula
    C7H12O2

    SMILES
    CCOC(=O)C/C=C\C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.14%
    Green 77.58%
    Apple 64.0%
    Pineapple 61.12%
    Tropical 57.22%
    Sweet 52.2%
    Fresh 43.77%
    Winey 42.03%
    Ethereal 39.75%
    Pear 38.54%

     

    Flavor
    Fruity 62.71%
    Pineapple 35.64%
    Green 35.37%
    Tropical 34.46%
    Sweet 29.46%
    Fresh 28.69%
    Apple 27.91%
    Ethereal 26.79%
    Fruit 24.46%
    Rum 23.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.33 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    152°C

    Flash point

    • 40.94 ˚C est.

  • Synonyms

    • ethyl (Z)-pent-3-enoate
    • 27829-70-5
    • ethyl (Z)-3-pentenoate
    • SCHEMBL20109279
    • DB-220447
    • 27829-70-5

  • Applications

    Ethyl (Z)-3-pentenoate is principally used as a fragrance ingredient and a flavor intermediate, contributing green and fruity notes in perfumery and flavor formulations. It is also employed as an intermediate in organic synthesis for the preparation of aroma compounds and other specialty chemicals in industrial manufacturing. In cosmetics and personal care, it may be included as a fragrance component within formulated products. Because of its C=C functionality, it can serve as a reactive ester intermediate in synthesis routes and may be considered as a potential monomer or co-monomer in specialty polymers, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1108.45
    methanol 1493.68
    isopropanol 884.0
    water 3.96
    ethyl acetate 350.72
    n-propanol 828.59
    acetone 582.03
    n-butanol 704.91
    acetonitrile 614.02
    DMF 1235.68
    toluene 291.63
    isobutanol 582.58
    1,4-dioxane 1010.19
    methyl acetate 403.56
    THF 934.61
    2-butanone 447.98
    n-pentanol 511.15
    sec-butanol 749.46
    n-hexane 174.95
    ethylene glycol 295.61
    NMP 906.2
    cyclohexane 265.22
    DMSO 917.99
    n-butyl acetate 267.74
    n-octanol 252.17
    chloroform 1557.94
    n-propyl acetate 202.95
    acetic acid 934.08
    dichloromethane 1153.0
    cyclohexanone 668.18
    propylene glycol 361.88
    isopropyl acetate 193.32
    DMAc 938.57
    2-ethoxyethanol 536.42
    isopentanol 506.28
    n-heptane 79.17
    ethyl formate 285.43
    1,2-dichloroethane 583.19
    n-hexanol 517.91
    2-methoxyethanol 979.77
    isobutyl acetate 129.02
    tetrachloromethane 254.81
    n-pentyl acetate 189.78
    transcutol 1107.8
    n-heptanol 186.37
    ethylbenzene 185.24
    MIBK 191.28
    2-propoxyethanol 581.81
    tert-butanol 919.52
    MTBE 512.47
    2-butoxyethanol 295.33
    propionic acid 575.06
    o-xylene 199.26
    formic acid 343.45
    diethyl ether 472.88
    m-xylene 178.85
    p-xylene 238.55
    chlorobenzene 402.59
    dimethyl carbonate 128.74
    n-octane 34.38
    formamide 351.93
    cyclopentanone 622.53
    2-pentanone 325.97
    anisole 322.49
    cyclopentyl methyl ether 427.78
    gamma-butyrolactone 640.05
    1-methoxy-2-propanol 644.71
    pyridine 845.59
    3-pentanone 264.64
    furfural 668.74
    n-dodecane 32.55
    diethylene glycol 487.21
    diisopropyl ether 116.68
    tert-amyl alcohol 771.76
    acetylacetone 308.15
    n-hexadecane 35.92
    acetophenone 280.22
    methyl propionate 296.16
    isopentyl acetate 239.8
    trichloroethylene 1118.76
    n-nonanol 215.1
    cyclohexanol 671.57
    benzyl alcohol 336.25
    2-ethylhexanol 266.82
    isooctanol 148.38
    dipropyl ether 220.53
    1,2-dichlorobenzene 329.71
    ethyl lactate 151.56
    propylene carbonate 358.78
    n-methylformamide 564.54
    2-pentanol 447.15
    n-pentane 144.96
    1-propoxy-2-propanol 376.81
    1-methoxy-2-propyl acetate 227.01
    2-(2-methoxypropoxy) propanol 344.11
    mesitylene 117.72
    ε-caprolactone 531.38
    p-cymene 105.76
    epichlorohydrin 708.45
    1,1,1-trichloroethane 623.13
    2-aminoethanol 538.12
    morpholine-4-carbaldehyde 795.97
    sulfolane 808.04
    2,2,4-trimethylpentane 65.89
    2-methyltetrahydrofuran 745.41
    n-hexyl acetate 326.16
    isooctane 43.21
    2-(2-butoxyethoxy)ethanol 424.72
    sec-butyl acetate 145.99
    tert-butyl acetate 218.97
    decalin 96.02
    glycerin 419.06
    diglyme 672.31
    acrylic acid 528.95
    isopropyl myristate 135.32
    n-butyric acid 645.39
    acetyl acetate 225.77
    di(2-ethylhexyl) phthalate 155.87
    ethyl propionate 198.0
    nitromethane 845.63
    1,2-diethoxyethane 357.0
    benzonitrile 415.71
    trioctyl phosphate 106.54
    1-bromopropane 492.57
    gamma-valerolactone 776.56
    n-decanol 157.69
    triethyl phosphate 122.71
    4-methyl-2-pentanol 214.81
    propionitrile 513.61
    vinylene carbonate 375.18
    1,1,2-trichlorotrifluoroethane 644.8
    DMS 210.27
    cumene 129.03
    2-octanol 146.79
    2-hexanone 260.87
    octyl acetate 174.58
    limonene 173.87
    1,2-dimethoxyethane 788.17
    ethyl orthosilicate 121.02
    tributyl phosphate 131.26
    diacetone alcohol 302.68
    N,N-dimethylaniline 252.52
    acrylonitrile 573.58
    aniline 409.82
    1,3-propanediol 631.48
    bromobenzene 411.55
    dibromomethane 838.37
    1,1,2,2-tetrachloroethane 987.41
    2-methyl-cyclohexyl acetate 191.54
    tetrabutyl urea 183.58
    diisobutyl methanol 142.54
    2-phenylethanol 284.89
    styrene 251.37
    dioctyl adipate 196.12
    dimethyl sulfate 216.27
    ethyl butyrate 189.63
    methyl lactate 207.48
    butyl lactate 178.25
    diethyl carbonate 158.15
    propanediol butyl ether 312.85
    triethyl orthoformate 149.51
    p-tert-butyltoluene 105.82
    methyl 4-tert-butylbenzoate 247.16
    morpholine 1161.11
    tert-butylamine 659.04
    n-dodecanol 124.22
    dimethoxymethane 457.7
    ethylene carbonate 282.99
    cyrene 277.23
    2-ethoxyethyl acetate 235.43
    2-ethylhexyl acetate 188.76
    1,2,4-trichlorobenzene 391.59
    4-methylpyridine 759.1
    dibutyl ether 244.46
    2,6-dimethyl-4-heptanol 142.54
    DEF 511.49
    dimethyl isosorbide 417.25
    tetrachloroethylene 648.03
    eugenol 276.69
    triacetin 271.89
    span 80 328.46
    1,4-butanediol 285.82
    1,1-dichloroethane 718.93
    2-methyl-1-pentanol 417.89
    methyl formate 345.52
    2-methyl-1-butanol 534.7
    n-decane 50.75
    butyronitrile 564.16
    3,7-dimethyl-1-octanol 237.37
    1-chlorooctane 159.78
    1-chlorotetradecane 71.87
    n-nonane 51.54
    undecane 38.75
    tert-butylcyclohexane 86.92
    cyclooctane 62.2
    cyclopentanol 667.1
    tetrahydropyran 917.88
    tert-amyl methyl ether 378.25
    2,5,8-trioxanonane 535.29
    1-hexene 413.64
    2-isopropoxyethanol 340.29
    2,2,2-trifluoroethanol 223.13
    methyl butyrate 280.61

    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