4,7-Octadienoic acid, ethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72276-09-6

    Molecular formula
    C10H16O2

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

  • Odor profile

    Fragrance
    Fruity 88.34%
    Pineapple 65.73%
    Sweet 59.38%
    Green 58.89%
    Pear 51.89%
    Fatty 46.9%
    Tropical 46.72%
    Waxy 39.89%
    Apple 35.65%
    Melon 35.03%

     

    Flavor
    Fruity 37.06%
    Tropical 24.42%
    Oily 20.84%
    Fatty 20.13%
    Floral 19.93%
    Green 19.81%
    Pear 19.4%
    Melon 19.26%
    Cucumber skin 18.72%
    Pear skin 18.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.69 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 88.00 °C. @ 20.00 mm Hg

    Flash point

    • 84.81 ˚C est.

  • Synonyms

    • Ethyl 4,7-octadienoate
    • 72276-09-6
    • Ethyl (4Z)-4,7-octadienoate
    • ethyl (4E)-octa-4,7-dienoate
    • 4,7-Octadienoic acid, ethyl ester
    • EINECS 276-569-6
    • Ethyl octa-4,7-dienoate
    • DTXSID0072560
    • ethyl trans-4,7-octadienoate
    • SCHEMBL3504878
    • DTXCID0047290
    • SCHEMBL11123104
    • CHEBI:180843
    • LMFA07010846
    • Ethyl ester(Z)-4,7-Octadienoic acid

  • Applications

    Ethyl 4,7-octadienoate is an unsaturated ester bearing two double bonds at positions 4 and 7. It may be used as an intermediate and/or reactive diluent in the synthesis of specialty polymers and coating chemistries. It is commonly employed as a monomer or reactive diluent in unsaturated polyester resins and UV-curable coating systems to promote crosslinking and enhance film properties. It can also serve as a solvent or processing aid in adhesive and printing formulations. Additionally, it may function as a building block for specialty polymers used in electronics and optical coatings, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 977.92
    methanol 1115.7
    isopropanol 690.21
    water 0.3
    ethyl acetate 906.77
    n-propanol 674.97
    acetone 1450.22
    n-butanol 640.92
    acetonitrile 815.6
    DMF 1563.08
    toluene 382.87
    isobutanol 493.82
    1,4-dioxane 1053.48
    methyl acetate 737.18
    THF 1663.83
    2-butanone 979.83
    n-pentanol 518.13
    sec-butanol 607.86
    n-hexane 177.54
    ethylene glycol 131.48
    NMP 1344.79
    cyclohexane 179.44
    DMSO 2228.95
    n-butyl acetate 704.13
    n-octanol 230.68
    chloroform 1647.21
    n-propyl acetate 535.39
    acetic acid 974.01
    dichloromethane 1768.07
    cyclohexanone 1269.99
    propylene glycol 207.07
    isopropyl acetate 527.14
    DMAc 1268.43
    2-ethoxyethanol 584.07
    isopentanol 544.98
    n-heptane 64.13
    ethyl formate 394.03
    1,2-dichloroethane 1156.5
    n-hexanol 520.76
    2-methoxyethanol 893.62
    isobutyl acetate 330.33
    tetrachloromethane 192.6
    n-pentyl acetate 364.43
    transcutol 2490.95
    n-heptanol 163.25
    ethylbenzene 240.81
    MIBK 446.75
    2-propoxyethanol 713.55
    tert-butanol 870.75
    MTBE 759.12
    2-butoxyethanol 315.16
    propionic acid 621.8
    o-xylene 245.5
    formic acid 212.23
    diethyl ether 939.12
    m-xylene 284.5
    p-xylene 288.19
    chlorobenzene 563.86
    dimethyl carbonate 238.36
    n-octane 27.67
    formamide 306.17
    cyclopentanone 1314.51
    2-pentanone 871.44
    anisole 446.88
    cyclopentyl methyl ether 822.49
    gamma-butyrolactone 1317.13
    1-methoxy-2-propanol 742.79
    pyridine 960.05
    3-pentanone 613.88
    furfural 935.45
    n-dodecane 24.85
    diethylene glycol 448.2
    diisopropyl ether 226.3
    tert-amyl alcohol 718.22
    acetylacetone 816.61
    n-hexadecane 28.75
    acetophenone 436.02
    methyl propionate 627.0
    isopentyl acetate 578.59
    trichloroethylene 1846.15
    n-nonanol 200.17
    cyclohexanol 636.94
    benzyl alcohol 361.79
    2-ethylhexanol 304.27
    isooctanol 143.37
    dipropyl ether 379.45
    1,2-dichlorobenzene 491.57
    ethyl lactate 221.6
    propylene carbonate 674.28
    n-methylformamide 567.52
    2-pentanol 486.85
    n-pentane 112.1
    1-propoxy-2-propanol 544.21
    1-methoxy-2-propyl acetate 560.73
    2-(2-methoxypropoxy) propanol 465.48
    mesitylene 188.81
    ε-caprolactone 946.78
    p-cymene 138.25
    epichlorohydrin 1368.68
    1,1,1-trichloroethane 911.3
    2-aminoethanol 297.93
    morpholine-4-carbaldehyde 980.75
    sulfolane 1674.93
    2,2,4-trimethylpentane 62.8
    2-methyltetrahydrofuran 1251.85
    n-hexyl acetate 565.96
    isooctane 46.4
    2-(2-butoxyethoxy)ethanol 608.36
    sec-butyl acetate 360.52
    tert-butyl acetate 569.53
    decalin 99.4
    glycerin 271.9
    diglyme 982.66
    acrylic acid 487.07
    isopropyl myristate 204.13
    n-butyric acid 863.92
    acetyl acetate 499.15
    di(2-ethylhexyl) phthalate 202.7
    ethyl propionate 483.36
    nitromethane 1380.65
    1,2-diethoxyethane 827.89
    benzonitrile 494.31
    trioctyl phosphate 135.66
    1-bromopropane 826.43
    gamma-valerolactone 1263.53
    n-decanol 145.77
    triethyl phosphate 209.58
    4-methyl-2-pentanol 245.68
    propionitrile 629.54
    vinylene carbonate 567.81
    1,1,2-trichlorotrifluoroethane 825.68
    DMS 427.1
    cumene 157.93
    2-octanol 138.4
    2-hexanone 616.48
    octyl acetate 259.4
    limonene 237.12
    1,2-dimethoxyethane 997.74
    ethyl orthosilicate 204.19
    tributyl phosphate 209.12
    diacetone alcohol 552.82
    N,N-dimethylaniline 326.27
    acrylonitrile 709.57
    aniline 453.16
    1,3-propanediol 430.04
    bromobenzene 656.83
    dibromomethane 1260.3
    1,1,2,2-tetrachloroethane 1571.46
    2-methyl-cyclohexyl acetate 367.58
    tetrabutyl urea 275.52
    diisobutyl methanol 166.41
    2-phenylethanol 340.5
    styrene 336.65
    dioctyl adipate 326.44
    dimethyl sulfate 434.89
    ethyl butyrate 444.44
    methyl lactate 277.56
    butyl lactate 288.43
    diethyl carbonate 301.98
    propanediol butyl ether 387.22
    triethyl orthoformate 291.2
    p-tert-butyltoluene 132.24
    methyl 4-tert-butylbenzoate 340.59
    morpholine 1238.83
    tert-butylamine 545.23
    n-dodecanol 111.41
    dimethoxymethane 785.75
    ethylene carbonate 476.99
    cyrene 391.37
    2-ethoxyethyl acetate 508.39
    2-ethylhexyl acetate 443.14
    1,2,4-trichlorobenzene 549.43
    4-methylpyridine 987.33
    dibutyl ether 419.34
    2,6-dimethyl-4-heptanol 166.41
    DEF 938.13
    dimethyl isosorbide 692.18
    tetrachloroethylene 891.67
    eugenol 345.86
    triacetin 493.46
    span 80 391.6
    1,4-butanediol 203.13
    1,1-dichloroethane 1103.08
    2-methyl-1-pentanol 480.4
    methyl formate 396.5
    2-methyl-1-butanol 534.88
    n-decane 40.62
    butyronitrile 744.84
    3,7-dimethyl-1-octanol 261.51
    1-chlorooctane 189.89
    1-chlorotetradecane 75.0
    n-nonane 40.41
    undecane 30.72
    tert-butylcyclohexane 90.13
    cyclooctane 49.97
    cyclopentanol 608.19
    tetrahydropyran 1277.47
    tert-amyl methyl ether 570.39
    2,5,8-trioxanonane 753.22
    1-hexene 528.35
    2-isopropoxyethanol 453.69
    2,2,2-trifluoroethanol 218.73
    methyl butyrate 660.58

    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