Ethyl dec-2-ynoate

  • Identifiers

    Molecular formula
    C12H20O2

    SMILES
    CCCCCCCC#CC(=O)OCC

  • Odor profile

    Fragrance
    Green 80.49%
    Floral 60.17%
    Violet 58.91%
    Waxy 57.8%
    Fatty 42.45%
    Leafy 42.16%
    Melon 38.4%
    Cucumber 36.92%
    Oily 35.19%
    Fresh 34.11%

     

    Flavor
    Bland 29.74%
    Fruity 28.04%
    Mild 26.48%
    Bitter 23.96%
    Odorless 23.71%
    Oily 22.26%
    Slightly waxy 20.58%
    Waxy 20.42%
    Parsley 20.41%
    Beer 19.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.42 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 111.17 ˚C est.

  • Applications

    Ethyl dec-2-ynoate is primarily used as an organic synthesis intermediate and building block for acetylenic compounds. In industrial manufacturing, it serves as a precursor for the preparation of more complex molecules via alkyne chemistry, supporting pharmaceutical and agrochemical research pathways. It is also employed in polymer and plastics applications as a functional monomer or crosslinkable unit that enables integration of alkyne functionality into polymers. In coatings and inks, it provides reactive ester functionality for formulation and crosslinking. It is explored in electronics and advanced materials contexts as a component for surface modification and click-chemistry-based material design, with use limited by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21175.16
    methanol 26984.82
    isopropanol 13822.83
    water 0.24
    ethyl acetate 16325.19
    n-propanol 13290.8
    acetone 34395.9
    n-butanol 10869.46
    acetonitrile 18301.07
    DMF 24380.31
    toluene 3585.07
    isobutanol 8497.81
    1,4-dioxane 11826.09
    methyl acetate 10677.06
    THF 17365.31
    2-butanone 16511.69
    n-pentanol 5948.25
    sec-butanol 9175.07
    n-hexane 1342.71
    ethylene glycol 1818.3
    NMP 10346.48
    cyclohexane 2225.75
    DMSO 30313.28
    n-butyl acetate 6998.13
    n-octanol 1287.7
    chloroform 15225.14
    n-propyl acetate 7220.89
    acetic acid 10408.19
    dichloromethane 19543.65
    cyclohexanone 20785.97
    propylene glycol 2708.04
    isopropyl acetate 7005.17
    DMAc 8202.63
    2-ethoxyethanol 6572.08
    isopentanol 6668.43
    n-heptane 365.18
    ethyl formate 6848.03
    1,2-dichloroethane 16941.68
    n-hexanol 4464.83
    2-methoxyethanol 14679.87
    isobutyl acetate 2797.52
    tetrachloromethane 1923.51
    n-pentyl acetate 3225.98
    transcutol 14439.61
    n-heptanol 1221.89
    ethylbenzene 1378.9
    MIBK 4852.28
    2-propoxyethanol 5776.61
    tert-butanol 9860.49
    MTBE 8530.69
    2-butoxyethanol 2430.22
    propionic acid 7538.49
    o-xylene 1315.92
    formic acid 2573.14
    diethyl ether 14313.97
    m-xylene 1823.07
    p-xylene 1670.11
    chlorobenzene 4547.77
    dimethyl carbonate 2283.39
    n-octane 140.04
    formamide 6201.94
    cyclopentanone 17672.12
    2-pentanone 16504.62
    anisole 2826.52
    cyclopentyl methyl ether 9337.13
    gamma-butyrolactone 14884.1
    1-methoxy-2-propanol 9701.74
    pyridine 12394.33
    3-pentanone 8508.87
    furfural 8305.57
    n-dodecane 83.8
    diethylene glycol 3616.37
    diisopropyl ether 2289.33
    tert-amyl alcohol 6793.6
    acetylacetone 11281.9
    n-hexadecane 102.95
    acetophenone 2604.96
    methyl propionate 9706.41
    isopentyl acetate 4367.61
    trichloroethylene 22702.79
    n-nonanol 1025.44
    cyclohexanol 8332.95
    benzyl alcohol 2428.87
    2-ethylhexanol 1864.52
    isooctanol 944.73
    dipropyl ether 3173.04
    1,2-dichlorobenzene 3274.17
    ethyl lactate 1543.96
    propylene carbonate 5728.62
    n-methylformamide 13427.6
    2-pentanol 6746.12
    n-pentane 1076.66
    1-propoxy-2-propanol 4211.84
    1-methoxy-2-propyl acetate 4353.72
    2-(2-methoxypropoxy) propanol 1611.32
    mesitylene 995.35
    ε-caprolactone 10425.16
    p-cymene 570.06
    epichlorohydrin 15460.24
    1,1,1-trichloroethane 9896.13
    2-aminoethanol 4905.02
    morpholine-4-carbaldehyde 7988.87
    sulfolane 14372.34
    2,2,4-trimethylpentane 240.8
    2-methyltetrahydrofuran 13732.72
    n-hexyl acetate 3853.95
    isooctane 226.35
    2-(2-butoxyethoxy)ethanol 2971.71
    sec-butyl acetate 3379.86
    tert-butyl acetate 5638.36
    decalin 456.19
    glycerin 2465.18
    diglyme 6178.23
    acrylic acid 4956.58
    isopropyl myristate 972.83
    n-butyric acid 12266.9
    acetyl acetate 5132.98
    di(2-ethylhexyl) phthalate 701.8
    ethyl propionate 5061.08
    nitromethane 23192.3
    1,2-diethoxyethane 5584.64
    benzonitrile 3893.92
    trioctyl phosphate 591.78
    1-bromopropane 10420.44
    gamma-valerolactone 15984.38
    n-decanol 666.27
    triethyl phosphate 797.66
    4-methyl-2-pentanol 2030.6
    propionitrile 9998.48
    vinylene carbonate 4852.5
    1,1,2-trichlorotrifluoroethane 8379.18
    DMS 2510.36
    cumene 701.78
    2-octanol 983.95
    2-hexanone 7035.78
    octyl acetate 1299.86
    limonene 1164.54
    1,2-dimethoxyethane 10339.47
    ethyl orthosilicate 804.48
    tributyl phosphate 878.79
    diacetone alcohol 5318.09
    N,N-dimethylaniline 1442.97
    acrylonitrile 11055.41
    aniline 4442.66
    1,3-propanediol 6963.47
    bromobenzene 5155.82
    dibromomethane 13757.04
    1,1,2,2-tetrachloroethane 15981.91
    2-methyl-cyclohexyl acetate 1595.22
    tetrabutyl urea 1200.73
    diisobutyl methanol 889.8
    2-phenylethanol 1938.53
    styrene 2270.75
    dioctyl adipate 1368.5
    dimethyl sulfate 3325.66
    ethyl butyrate 3388.5
    methyl lactate 2573.9
    butyl lactate 2107.48
    diethyl carbonate 1670.89
    propanediol butyl ether 2582.38
    triethyl orthoformate 1610.85
    p-tert-butyltoluene 548.18
    methyl 4-tert-butylbenzoate 1399.95
    morpholine 18898.01
    tert-butylamine 5548.04
    n-dodecanol 470.33
    dimethoxymethane 9925.55
    ethylene carbonate 4497.54
    cyrene 1386.66
    2-ethoxyethyl acetate 4069.55
    2-ethylhexyl acetate 2986.36
    1,2,4-trichlorobenzene 3559.22
    4-methylpyridine 11051.92
    dibutyl ether 2729.1
    2,6-dimethyl-4-heptanol 889.8
    DEF 13298.06
    dimethyl isosorbide 2747.31
    tetrachloroethylene 9852.71
    eugenol 1526.16
    triacetin 2528.3
    span 80 1773.97
    1,4-butanediol 2218.63
    1,1-dichloroethane 15411.36
    2-methyl-1-pentanol 3799.46
    methyl formate 7011.2
    2-methyl-1-butanol 6376.15
    n-decane 167.19
    butyronitrile 12084.99
    3,7-dimethyl-1-octanol 1229.64
    1-chlorooctane 1032.75
    1-chlorotetradecane 300.11
    n-nonane 192.09
    undecane 112.46
    tert-butylcyclohexane 372.47
    cyclooctane 425.39
    cyclopentanol 8046.74
    tetrahydropyran 19708.94
    tert-amyl methyl ether 4627.89
    2,5,8-trioxanonane 3072.42
    1-hexene 5197.9
    2-isopropoxyethanol 3444.28
    2,2,2-trifluoroethanol 1857.91
    methyl butyrate 8075.69

    Scent© AI

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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