Ethyl ximenynate

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  • Identifiers

    CAS number
    159534-89-1

    Molecular formula
    C20H34O2

    SMILES
    CCCCCC/C=C/C#CCCCCCCCC(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 56.66%
    Waxy 53.17%
    Fruity 51.44%
    Oily 44.24%
    Floral 42.99%
    Green 41.59%
    Citrus 36.63%
    Fresh 32.08%
    Sweet 30.53%
    Rose 27.26%

     

    Flavor
    Faint 25.23%
    Bland 24.26%
    Waxy 23.82%
    Mild 23.39%
    Slightly waxy 20.63%
    Delicate 20.29%
    Oily 20.06%
    Diterpene 19.8%
    Oriental 19.77%
    Low 19.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    6.51 (neutral)

    Molecular weight
    306.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    361°C

    Flash point

    • 177.47 ˚C est.

  • Synonyms

    • Ethyl ximenynate
    • 159534-89-1
    • Ethyl santalbate
    • Eyedren
    • X-Solve
    • MEQ6O2FROG
    • UNII-MEQ6O2FROG
    • 11-Octadecen-9-ynoic acid, ethyl ester, (E)-
    • 11-Octadecen-9-ynoic acid, ethyl ester, (11E)-
    • ETHYL XIMENYATE [WHO-DD]
    • DTXSID00166675
    • ETHYL XIMENYATE
    • RefChem:139077
    • ETHYL XIMENYNATE [INCI]
    • DTXCID3089166
    • Ethyl (E)-octadec-11-en-9-ynoate
    • ethyl (11E)-octadec-11-en-9-ynoate
    • orb2814986
    • SCHEMBL29562603
    • (E)-Ethyl Octadec-11-En-9-Ynoate
    • Q27283981
    • 159534-89-1

  • Applications

    Ethyl ximenynate (CAS 159534-89-1) is primarily used in fragrance applications where it can act as an aroma component and a fixative in perfumery formulations. In cosmetics and personal care, it may serve as a fragrance ingredient or conditioning ester in creams, lotions, and other products. In household products, it can be added as a scent additive for cleaners and detergents. In industrial manufacturing, it can function as a specialty solvent or processing aid in formulation work and, in certain polymer or coating systems, as a plasticizer or softening agent. It may also be encountered as an intermediate in organic synthesis; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1476.25
    methanol 1880.13
    isopropanol 1057.06
    water 0.11
    ethyl acetate 2693.75
    n-propanol 1275.02
    acetone 3379.51
    n-butanol 1194.51
    acetonitrile 1376.37
    DMF 2891.93
    toluene 761.08
    isobutanol 950.85
    1,4-dioxane 2287.78
    methyl acetate 1571.94
    THF 3909.58
    2-butanone 2477.06
    n-pentanol 871.61
    sec-butanol 1076.73
    n-hexane 248.01
    ethylene glycol 86.09
    NMP 2358.51
    cyclohexane 800.6
    DMSO 4059.58
    n-butyl acetate 1571.99
    n-octanol 330.18
    chloroform 4252.41
    n-propyl acetate 2035.75
    acetic acid 1098.75
    dichloromethane 5333.52
    cyclohexanone 4498.82
    propylene glycol 202.15
    isopropyl acetate 1691.19
    DMAc 2479.11
    2-ethoxyethanol 1295.93
    isopentanol 1052.63
    n-heptane 133.3
    ethyl formate 1050.32
    1,2-dichloroethane 3851.05
    n-hexanol 586.27
    2-methoxyethanol 1714.52
    isobutyl acetate 1039.18
    tetrachloromethane 741.32
    n-pentyl acetate 1406.92
    transcutol 4639.51
    n-heptanol 310.0
    ethylbenzene 423.34
    MIBK 1484.15
    2-propoxyethanol 1063.99
    tert-butanol 1097.79
    MTBE 1576.18
    2-butoxyethanol 744.72
    propionic acid 909.27
    o-xylene 461.29
    formic acid 269.51
    diethyl ether 2495.46
    m-xylene 465.76
    p-xylene 545.4
    chlorobenzene 1107.55
    dimethyl carbonate 474.71
    n-octane 51.62
    formamide 591.14
    cyclopentanone 3507.77
    2-pentanone 2742.01
    anisole 887.13
    cyclopentyl methyl ether 2306.59
    gamma-butyrolactone 2871.18
    1-methoxy-2-propanol 1356.02
    pyridine 2266.65
    3-pentanone 1730.13
    furfural 1955.05
    n-dodecane 30.14
    diethylene glycol 536.3
    diisopropyl ether 573.72
    tert-amyl alcohol 1051.02
    acetylacetone 2425.19
    n-hexadecane 36.84
    acetophenone 937.92
    methyl propionate 1600.11
    isopentyl acetate 1239.79
    trichloroethylene 5169.98
    n-nonanol 293.8
    cyclohexanol 1532.84
    benzyl alcohol 610.59
    2-ethylhexanol 438.59
    isooctanol 292.59
    dipropyl ether 981.63
    1,2-dichlorobenzene 1069.49
    ethyl lactate 492.45
    propylene carbonate 1456.18
    n-methylformamide 1177.3
    2-pentanol 896.35
    n-pentane 193.39
    1-propoxy-2-propanol 921.56
    1-methoxy-2-propyl acetate 1174.47
    2-(2-methoxypropoxy) propanol 612.77
    mesitylene 319.59
    ε-caprolactone 2907.44
    p-cymene 232.14
    epichlorohydrin 3560.34
    1,1,1-trichloroethane 2680.4
    2-aminoethanol 356.1
    morpholine-4-carbaldehyde 2021.86
    sulfolane 3415.53
    2,2,4-trimethylpentane 91.24
    2-methyltetrahydrofuran 3122.92
    n-hexyl acetate 1362.98
    isooctane 62.18
    2-(2-butoxyethoxy)ethanol 1005.46
    sec-butyl acetate 1177.25
    tert-butyl acetate 1710.36
    decalin 184.25
    glycerin 258.07
    diglyme 2326.06
    acrylic acid 587.23
    isopropyl myristate 372.89
    n-butyric acid 1949.32
    acetyl acetate 1195.86
    di(2-ethylhexyl) phthalate 298.35
    ethyl propionate 1581.72
    nitromethane 2818.05
    1,2-diethoxyethane 1829.74
    benzonitrile 904.18
    trioctyl phosphate 222.16
    1-bromopropane 2229.48
    gamma-valerolactone 3945.07
    n-decanol 190.79
    triethyl phosphate 431.54
    4-methyl-2-pentanol 435.06
    propionitrile 1144.95
    vinylene carbonate 1217.07
    1,1,2-trichlorotrifluoroethane 1886.5
    DMS 814.83
    cumene 263.88
    2-octanol 265.65
    2-hexanone 1658.19
    octyl acetate 470.93
    limonene 471.11
    1,2-dimethoxyethane 2515.46
    ethyl orthosilicate 446.39
    tributyl phosphate 329.35
    diacetone alcohol 1315.09
    N,N-dimethylaniline 546.43
    acrylonitrile 1094.92
    aniline 793.7
    1,3-propanediol 686.78
    bromobenzene 1333.98
    dibromomethane 3411.68
    1,1,2,2-tetrachloroethane 4171.99
    2-methyl-cyclohexyl acetate 765.68
    tetrabutyl urea 484.5
    diisobutyl methanol 273.6
    2-phenylethanol 487.2
    styrene 588.65
    dioctyl adipate 606.09
    dimethyl sulfate 811.6
    ethyl butyrate 1256.29
    methyl lactate 497.38
    butyl lactate 780.68
    diethyl carbonate 679.29
    propanediol butyl ether 660.74
    triethyl orthoformate 772.94
    p-tert-butyltoluene 210.88
    methyl 4-tert-butylbenzoate 704.21
    morpholine 3305.72
    tert-butylamine 695.67
    n-dodecanol 136.78
    dimethoxymethane 1802.39
    ethylene carbonate 1246.32
    cyrene 604.71
    2-ethoxyethyl acetate 1635.41
    2-ethylhexyl acetate 1022.75
    1,2,4-trichlorobenzene 1147.91
    4-methylpyridine 2048.77
    dibutyl ether 999.52
    2,6-dimethyl-4-heptanol 273.6
    DEF 2520.13
    dimethyl isosorbide 1160.82
    tetrachloroethylene 2849.49
    eugenol 603.73
    triacetin 1185.35
    span 80 638.65
    1,4-butanediol 264.92
    1,1-dichloroethane 2902.24
    2-methyl-1-pentanol 737.8
    methyl formate 715.41
    2-methyl-1-butanol 1013.11
    n-decane 65.92
    butyronitrile 1500.37
    3,7-dimethyl-1-octanol 342.35
    1-chlorooctane 367.46
    1-chlorotetradecane 103.57
    n-nonane 70.89
    undecane 40.94
    tert-butylcyclohexane 128.89
    cyclooctane 154.08
    cyclopentanol 1311.81
    tetrahydropyran 4155.89
    tert-amyl methyl ether 1183.19
    2,5,8-trioxanonane 1208.74
    1-hexene 815.45
    2-isopropoxyethanol 881.68
    2,2,2-trifluoroethanol 326.77
    methyl butyrate 2228.04

    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