2-Octenoic acid ethyl ester

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC=CC(=O)OCC

  • Odor profile

    Fragrance
    Fruity 90.82%
    Green 86.44%
    Fatty 73.18%
    Waxy 71.56%
    Pear 67.35%
    Tropical 57.41%
    Melon 55.16%
    Pineapple 50.85%
    Apple 47.77%
    Sweet 46.49%

     

    Flavor
    Fruity 83.62%
    Green 76.42%
    Waxy 61.73%
    Apple 54.35%
    Pear 53.15%
    Tropical 46.23%
    Sweet 41.75%
    Fruit 39.35%
    Fatty 37.68%
    Pineapple 37.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.99 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 85.28 ˚C est.

  • Synonyms

    • 2-Octenoic acid, ethyl ester
    • Ethyl (E)-2-octenoate
    • Octenoic acid, ethyl ester
    • DTXSID5062344
    • ethyl octenoate
    • 2-octenoic acid ethyl ester
    • AISZSTYLOVXFII-UHFFFAOYSA-N
    • AKOS030228112
    • DB-046178
    • NS00083028
    • Q27159527

  • Applications

    2-Octenoic acid ethyl ester, or ethyl 2-octenoate, is used primarily as a fragrance ingredient in perfumery and cosmetics; it is also considered an organic synthesis intermediate in industrial manufacturing and may act as a plasticizer for certain polymer systems; it is used as an additive in coatings and inks to adjust volatility and dispersion properties; and it may be evaluated for flavor/aroma applications in select formulations, depending on regulations and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7451.98
    methanol 8744.68
    isopropanol 5371.4
    water 0.15
    ethyl acetate 5210.14
    n-propanol 5034.25
    acetone 11013.05
    n-butanol 4369.83
    acetonitrile 5742.98
    DMF 8987.21
    toluene 1850.1
    isobutanol 3483.31
    1,4-dioxane 5016.64
    methyl acetate 3759.87
    THF 7788.65
    2-butanone 5984.62
    n-pentanol 2836.49
    sec-butanol 4244.98
    n-hexane 944.35
    ethylene glycol 644.52
    NMP 5425.99
    cyclohexane 1017.18
    DMSO 10428.85
    n-butyl acetate 3472.82
    n-octanol 809.17
    chloroform 7016.0
    n-propyl acetate 2644.83
    acetic acid 4439.18
    dichloromethane 7535.64
    cyclohexanone 7254.06
    propylene glycol 1142.83
    isopropyl acetate 2633.9
    DMAc 3790.16
    2-ethoxyethanol 2427.1
    isopentanol 3349.09
    n-heptane 240.47
    ethyl formate 2264.25
    1,2-dichloroethane 6343.26
    n-hexanol 2668.81
    2-methoxyethanol 5008.9
    isobutyl acetate 1289.47
    tetrachloromethane 923.71
    n-pentyl acetate 1482.71
    transcutol 7733.24
    n-heptanol 713.88
    ethylbenzene 839.45
    MIBK 2106.73
    2-propoxyethanol 3071.55
    tert-butanol 5176.35
    MTBE 4727.55
    2-butoxyethanol 1251.65
    propionic acid 2975.44
    o-xylene 814.36
    formic acid 866.0
    diethyl ether 5672.62
    m-xylene 1072.92
    p-xylene 979.62
    chlorobenzene 2285.52
    dimethyl carbonate 885.95
    n-octane 89.13
    formamide 1558.67
    cyclopentanone 6594.08
    2-pentanone 5359.45
    anisole 1547.68
    cyclopentyl methyl ether 4332.17
    gamma-butyrolactone 5903.38
    1-methoxy-2-propanol 3762.81
    pyridine 5196.55
    3-pentanone 3019.76
    furfural 3555.91
    n-dodecane 61.49
    diethylene glycol 1707.97
    diisopropyl ether 1135.45
    tert-amyl alcohol 3902.95
    acetylacetone 4035.03
    n-hexadecane 74.15
    acetophenone 1300.59
    methyl propionate 3383.88
    isopentyl acetate 2477.63
    trichloroethylene 9080.32
    n-nonanol 666.64
    cyclohexanol 3780.14
    benzyl alcohol 1284.58
    2-ethylhexanol 1315.17
    isooctanol 598.24
    dipropyl ether 1663.57
    1,2-dichlorobenzene 1729.89
    ethyl lactate 714.72
    propylene carbonate 2585.48
    n-methylformamide 3776.81
    2-pentanol 3033.77
    n-pentane 606.79
    1-propoxy-2-propanol 2348.25
    1-methoxy-2-propyl acetate 2122.28
    2-(2-methoxypropoxy) propanol 1204.76
    mesitylene 617.38
    ε-caprolactone 4387.55
    p-cymene 395.49
    epichlorohydrin 6472.76
    1,1,1-trichloroethane 4575.06
    2-aminoethanol 1785.13
    morpholine-4-carbaldehyde 3668.94
    sulfolane 6771.3
    2,2,4-trimethylpentane 199.31
    2-methyltetrahydrofuran 6961.31
    n-hexyl acetate 1976.08
    isooctane 173.79
    2-(2-butoxyethoxy)ethanol 1863.96
    sec-butyl acetate 1528.79
    tert-butyl acetate 2500.92
    decalin 343.38
    glycerin 1135.01
    diglyme 3106.42
    acrylic acid 2176.83
    isopropyl myristate 609.47
    n-butyric acid 4880.99
    acetyl acetate 1958.52
    di(2-ethylhexyl) phthalate 512.64
    ethyl propionate 2027.46
    nitromethane 6637.21
    1,2-diethoxyethane 2953.51
    benzonitrile 1940.58
    trioctyl phosphate 384.21
    1-bromopropane 4356.82
    gamma-valerolactone 6032.55
    n-decanol 459.02
    triethyl phosphate 506.51
    4-methyl-2-pentanol 1169.21
    propionitrile 3592.04
    vinylene carbonate 2160.68
    1,1,2-trichlorotrifluoroethane 3625.74
    DMS 1225.41
    cumene 463.0
    2-octanol 578.81
    2-hexanone 3005.9
    octyl acetate 808.19
    limonene 793.44
    1,2-dimethoxyethane 4418.28
    ethyl orthosilicate 522.11
    tributyl phosphate 569.99
    diacetone alcohol 2411.35
    N,N-dimethylaniline 895.63
    acrylonitrile 4007.39
    aniline 2457.68
    1,3-propanediol 2473.17
    bromobenzene 2608.29
    dibromomethane 5855.94
    1,1,2,2-tetrachloroethane 7069.21
    2-methyl-cyclohexyl acetate 1027.62
    tetrabutyl urea 744.91
    diisobutyl methanol 605.34
    2-phenylethanol 1242.35
    styrene 1308.39
    dioctyl adipate 874.81
    dimethyl sulfate 1410.3
    ethyl butyrate 1634.8
    methyl lactate 1116.76
    butyl lactate 1019.08
    diethyl carbonate 875.9
    propanediol butyl ether 1407.0
    triethyl orthoformate 871.1
    p-tert-butyltoluene 391.26
    methyl 4-tert-butylbenzoate 866.1
    morpholine 7836.94
    tert-butylamine 3387.28
    n-dodecanol 338.99
    dimethoxymethane 3865.42
    ethylene carbonate 1865.44
    cyrene 902.32
    2-ethoxyethyl acetate 1816.9
    2-ethylhexyl acetate 1788.41
    1,2,4-trichlorobenzene 1951.83
    4-methylpyridine 5160.2
    dibutyl ether 1551.73
    2,6-dimethyl-4-heptanol 605.34
    DEF 4990.52
    dimethyl isosorbide 1862.91
    tetrachloroethylene 3992.63
    eugenol 932.29
    triacetin 1324.61
    span 80 1223.98
    1,4-butanediol 925.17
    1,1-dichloroethane 6281.38
    2-methyl-1-pentanol 2181.72
    methyl formate 2166.14
    2-methyl-1-butanol 3126.05
    n-decane 115.48
    butyronitrile 4668.79
    3,7-dimethyl-1-octanol 883.93
    1-chlorooctane 638.82
    1-chlorotetradecane 211.79
    n-nonane 124.52
    undecane 80.91
    tert-butylcyclohexane 301.26
    cyclooctane 225.85
    cyclopentanol 3649.02
    tetrahydropyran 8294.46
    tert-amyl methyl ether 2711.96
    2,5,8-trioxanonane 1971.37
    1-hexene 3075.18
    2-isopropoxyethanol 1699.37
    2,2,2-trifluoroethanol 771.09
    methyl butyrate 3072.16

    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