Ethyl cis-4-hexenoate

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  • Identifiers

    CAS number
    34495-73-3

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)CCC=CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.89%
    Green 85.89%
    Tropical 66.15%
    Pineapple 66.04%
    Apple 61.88%
    Sweet 54.6%
    Pear 49.63%
    Waxy 45.1%
    Banana 44.76%
    Fresh 43.61%

     

    Flavor
    Fruity 73.08%
    Green 51.1%
    Pineapple 46.94%
    Apple 44.85%
    Tropical 40.31%
    Fresh 39.14%
    Pear 36.84%
    Sweet 32.46%
    Fruit 31.85%
    Banana 29.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    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.
    168°C

    Flash point

    • 57.27 ˚C est.

  • Synonyms

    • ETHYL CIS-4-HEXENOATE
    • 34495-73-3
    • DTXSID80336132
    • RefChem:344784
    • DTXCID30287221
    • ethyl 4-hexenoate
    • ETHYL HEX-4-ENOATE
    • SCHEMBL7136619
    • SCHEMBL11793409
    • 34495-73-3

  • Applications

    Ethyl cis-4-hexenoate (CAS 34495-73-3) is primarily used as an aroma chemical in perfumery and cosmetics, delivering fruity and green notes to fragrances and personal-care formulations. It may be used as a flavor ingredient in select food applications where permitted. It is also used as a fragrance additive in household products such as cleaners and laundry formulations to impart specific odor profiles. Additionally, it can serve as an intermediate in the synthesis of other aroma compounds for fragrance manufacturing. In coatings and inks, it may be included as a fragrance component to improve odor. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2708.13
    methanol 2939.1
    isopropanol 1996.61
    water 3.03
    ethyl acetate 1746.6
    n-propanol 1822.5
    acetone 2537.32
    n-butanol 1738.62
    acetonitrile 2150.46
    DMF 2933.89
    toluene 794.6
    isobutanol 1382.59
    1,4-dioxane 2675.13
    methyl acetate 1424.87
    THF 3197.42
    2-butanone 1691.26
    n-pentanol 1188.3
    sec-butanol 1692.05
    n-hexane 433.41
    ethylene glycol 447.66
    NMP 2864.12
    cyclohexane 599.61
    DMSO 2839.45
    n-butyl acetate 1064.99
    n-octanol 537.07
    chloroform 4206.79
    n-propyl acetate 833.46
    acetic acid 2850.57
    dichloromethane 3908.95
    cyclohexanone 2454.77
    propylene glycol 579.25
    isopropyl acetate 1010.98
    DMAc 2187.55
    2-ethoxyethanol 1252.62
    isopentanol 1387.78
    n-heptane 167.53
    ethyl formate 916.3
    1,2-dichloroethane 2174.64
    n-hexanol 1107.13
    2-methoxyethanol 2086.0
    isobutyl acetate 496.08
    tetrachloromethane 618.23
    n-pentyl acetate 693.5
    transcutol 3484.22
    n-heptanol 397.24
    ethylbenzene 447.81
    MIBK 752.57
    2-propoxyethanol 1378.26
    tert-butanol 2294.89
    MTBE 1667.6
    2-butoxyethanol 636.82
    propionic acid 1594.26
    o-xylene 471.26
    formic acid 761.22
    diethyl ether 1874.3
    m-xylene 513.5
    p-xylene 552.23
    chlorobenzene 1117.86
    dimethyl carbonate 425.17
    n-octane 69.48
    formamide 971.76
    cyclopentanone 2449.41
    2-pentanone 1451.01
    anisole 819.3
    cyclopentyl methyl ether 1685.97
    gamma-butyrolactone 2513.51
    1-methoxy-2-propanol 1545.17
    pyridine 2134.68
    3-pentanone 1036.39
    furfural 1785.98
    n-dodecane 57.26
    diethylene glycol 932.67
    diisopropyl ether 452.89
    tert-amyl alcohol 1785.13
    acetylacetone 1415.75
    n-hexadecane 64.48
    acetophenone 713.48
    methyl propionate 1116.95
    isopentyl acetate 879.66
    trichloroethylene 3630.77
    n-nonanol 446.83
    cyclohexanol 1772.17
    benzyl alcohol 705.02
    2-ethylhexanol 612.79
    isooctanol 325.93
    dipropyl ether 658.74
    1,2-dichlorobenzene 898.69
    ethyl lactate 355.17
    propylene carbonate 1252.98
    n-methylformamide 1388.66
    2-pentanol 1259.15
    n-pentane 337.82
    1-propoxy-2-propanol 923.83
    1-methoxy-2-propyl acetate 787.29
    2-(2-methoxypropoxy) propanol 723.93
    mesitylene 313.95
    ε-caprolactone 1969.76
    p-cymene 238.1
    epichlorohydrin 2546.03
    1,1,1-trichloroethane 2020.33
    2-aminoethanol 929.9
    morpholine-4-carbaldehyde 2130.07
    sulfolane 2862.56
    2,2,4-trimethylpentane 148.92
    2-methyltetrahydrofuran 2696.31
    n-hexyl acetate 1078.27
    isooctane 100.58
    2-(2-butoxyethoxy)ethanol 978.37
    sec-butyl acetate 600.21
    tert-butyl acetate 967.45
    decalin 221.63
    glycerin 689.3
    diglyme 1509.47
    acrylic acid 1313.83
    isopropyl myristate 344.29
    n-butyric acid 2090.07
    acetyl acetate 988.35
    di(2-ethylhexyl) phthalate 343.06
    ethyl propionate 796.08
    nitromethane 3031.63
    1,2-diethoxyethane 1228.58
    benzonitrile 1012.32
    trioctyl phosphate 236.13
    1-bromopropane 1683.72
    gamma-valerolactone 2627.43
    n-decanol 309.28
    triethyl phosphate 320.13
    4-methyl-2-pentanol 547.51
    propionitrile 1533.83
    vinylene carbonate 1164.57
    1,1,2-trichlorotrifluoroethane 1644.17
    DMS 677.04
    cumene 283.67
    2-octanol 330.87
    2-hexanone 927.94
    octyl acetate 454.07
    limonene 433.78
    1,2-dimethoxyethane 1922.89
    ethyl orthosilicate 319.27
    tributyl phosphate 333.97
    diacetone alcohol 932.35
    N,N-dimethylaniline 559.22
    acrylonitrile 1659.29
    aniline 1045.05
    1,3-propanediol 1202.74
    bromobenzene 1269.53
    dibromomethane 2680.33
    1,1,2,2-tetrachloroethane 2979.98
    2-methyl-cyclohexyl acetate 547.53
    tetrabutyl urea 420.49
    diisobutyl methanol 306.79
    2-phenylethanol 614.53
    styrene 625.3
    dioctyl adipate 498.14
    dimethyl sulfate 668.44
    ethyl butyrate 670.05
    methyl lactate 508.8
    butyl lactate 461.01
    diethyl carbonate 468.88
    propanediol butyl ether 688.22
    triethyl orthoformate 448.31
    p-tert-butyltoluene 226.51
    methyl 4-tert-butylbenzoate 560.7
    morpholine 3207.48
    tert-butylamine 1576.09
    n-dodecanol 229.18
    dimethoxymethane 1297.09
    ethylene carbonate 990.38
    cyrene 613.76
    2-ethoxyethyl acetate 816.04
    2-ethylhexyl acetate 680.8
    1,2,4-trichlorobenzene 992.79
    4-methylpyridine 2139.09
    dibutyl ether 738.91
    2,6-dimethyl-4-heptanol 306.79
    DEF 1817.91
    dimethyl isosorbide 1012.74
    tetrachloroethylene 1883.03
    eugenol 571.78
    triacetin 794.16
    span 80 677.62
    1,4-butanediol 489.38
    1,1-dichloroethane 2421.24
    2-methyl-1-pentanol 996.83
    methyl formate 910.67
    2-methyl-1-butanol 1341.04
    n-decane 99.65
    butyronitrile 1750.03
    3,7-dimethyl-1-octanol 503.01
    1-chlorooctane 393.95
    1-chlorotetradecane 142.08
    n-nonane 102.33
    undecane 71.96
    tert-butylcyclohexane 192.93
    cyclooctane 138.91
    cyclopentanol 1740.15
    tetrahydropyran 2963.85
    tert-amyl methyl ether 1183.54
    2,5,8-trioxanonane 1087.89
    1-hexene 1136.63
    2-isopropoxyethanol 864.38
    2,2,2-trifluoroethanol 657.02
    methyl butyrate 1122.3

    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