Ethyl dodec-2-ynoate

  • Identifiers

    Molecular formula
    C14H24O2

    SMILES
    CCCCCCCCCC#CC(=O)OCC

  • Odor profile

    Fragrance
    Green 69.94%
    Waxy 58.7%
    Floral 53.7%
    Fatty 46.44%
    Violet 43.76%
    Fresh 37.72%
    Citrus 36.65%
    Fruity 36.17%
    Oily 35.55%
    Melon 32.24%

     

    Flavor
    Bland 33.54%
    Mild 29.37%
    Odorless 25.35%
    Oily 24.07%
    Waxy 23.48%
    Faint 23.1%
    Slightly waxy 21.59%
    Beer 20.54%
    Parsley 20.37%
    Bay oil 20.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.26 (neutral)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 128.75 ˚C est.

  • Applications

    Ethyl dodec-2-ynoate is an alkyne-containing ester commonly used as an intermediate in organic synthesis; typical applications include: 1) serving as a building block to access functionally diverse compounds; 2) a precursor for functionalized polymers and coatings, enabling crosslinking or end-group modification; 3) a reactive component in click-chemistry-type sequences (alkyne-azide cycloaddition) for molecular assembly; 4) used as a synthetic precursor in pharmaceutical and agrochemical research; 5) a reactive modifier for formulations in coatings, inks, or specialty cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16091.19
    methanol 19210.61
    isopropanol 12492.65
    water 0.11
    ethyl acetate 15171.64
    n-propanol 11525.35
    acetone 31084.73
    n-butanol 9640.45
    acetonitrile 14159.44
    DMF 19051.77
    toluene 3224.46
    isobutanol 7865.89
    1,4-dioxane 11169.8
    methyl acetate 9161.53
    THF 17694.83
    2-butanone 15479.13
    n-pentanol 5487.26
    sec-butanol 8804.31
    n-hexane 1575.95
    ethylene glycol 1020.0
    NMP 8527.33
    cyclohexane 2978.82
    DMSO 23625.96
    n-butyl acetate 6643.04
    n-octanol 1235.18
    chloroform 14197.32
    n-propyl acetate 7790.97
    acetic acid 7086.75
    dichloromethane 17848.6
    cyclohexanone 20884.47
    propylene glycol 1869.23
    isopropyl acetate 7153.49
    DMAc 7239.64
    2-ethoxyethanol 6024.96
    isopentanol 6177.5
    n-heptane 470.76
    ethyl formate 5900.91
    1,2-dichloroethane 15841.56
    n-hexanol 3614.32
    2-methoxyethanol 12065.37
    isobutyl acetate 3079.86
    tetrachloromethane 2167.55
    n-pentyl acetate 3643.03
    transcutol 12378.83
    n-heptanol 1155.86
    ethylbenzene 1343.4
    MIBK 5160.15
    2-propoxyethanol 4793.57
    tert-butanol 9185.31
    MTBE 9068.11
    2-butoxyethanol 2388.1
    propionic acid 5818.81
    o-xylene 1283.37
    formic acid 1502.63
    diethyl ether 15035.22
    m-xylene 1696.67
    p-xylene 1653.42
    chlorobenzene 4201.44
    dimethyl carbonate 1898.24
    n-octane 169.75
    formamide 4038.4
    cyclopentanone 16552.55
    2-pentanone 16070.42
    anisole 2603.46
    cyclopentyl methyl ether 9827.2
    gamma-butyrolactone 12997.71
    1-methoxy-2-propanol 8398.41
    pyridine 11196.25
    3-pentanone 8250.29
    furfural 7207.6
    n-dodecane 86.52
    diethylene glycol 2724.5
    diisopropyl ether 2526.73
    tert-amyl alcohol 6289.44
    acetylacetone 10123.68
    n-hexadecane 107.95
    acetophenone 2468.88
    methyl propionate 8488.18
    isopentyl acetate 4325.63
    trichloroethylene 19716.99
    n-nonanol 975.35
    cyclohexanol 8290.18
    benzyl alcohol 2146.47
    2-ethylhexanol 1776.08
    isooctanol 971.21
    dipropyl ether 3668.87
    1,2-dichlorobenzene 3122.28
    ethyl lactate 1531.85
    propylene carbonate 5370.69
    n-methylformamide 10108.2
    2-pentanol 6317.17
    n-pentane 1218.19
    1-propoxy-2-propanol 3891.33
    1-methoxy-2-propyl acetate 4131.6
    2-(2-methoxypropoxy) propanol 1478.45
    mesitylene 1001.95
    ε-caprolactone 10581.06
    p-cymene 591.29
    epichlorohydrin 14422.55
    1,1,1-trichloroethane 9839.83
    2-aminoethanol 3469.45
    morpholine-4-carbaldehyde 6920.5
    sulfolane 12760.63
    2,2,4-trimethylpentane 260.58
    2-methyltetrahydrofuran 14366.42
    n-hexyl acetate 3957.34
    isooctane 238.43
    2-(2-butoxyethoxy)ethanol 2637.37
    sec-butyl acetate 3762.79
    tert-butyl acetate 5733.23
    decalin 517.47
    glycerin 1663.32
    diglyme 5825.26
    acrylic acid 3418.19
    isopropyl myristate 984.35
    n-butyric acid 10689.43
    acetyl acetate 4725.68
    di(2-ethylhexyl) phthalate 669.61
    ethyl propionate 5504.24
    nitromethane 17816.72
    1,2-diethoxyethane 5572.49
    benzonitrile 3445.29
    trioctyl phosphate 566.21
    1-bromopropane 10614.72
    gamma-valerolactone 15331.92
    n-decanol 618.54
    triethyl phosphate 872.76
    4-methyl-2-pentanol 2039.63
    propionitrile 8731.74
    vinylene carbonate 4347.88
    1,1,2-trichlorotrifluoroethane 7103.53
    DMS 2254.23
    cumene 699.11
    2-octanol 992.95
    2-hexanone 7320.33
    octyl acetate 1266.69
    limonene 1223.91
    1,2-dimethoxyethane 10066.12
    ethyl orthosilicate 883.95
    tributyl phosphate 823.54
    diacetone alcohol 4941.37
    N,N-dimethylaniline 1361.69
    acrylonitrile 8628.19
    aniline 3807.81
    1,3-propanediol 5279.66
    bromobenzene 4808.52
    dibromomethane 12923.13
    1,1,2,2-tetrachloroethane 14676.09
    2-methyl-cyclohexyl acetate 1701.12
    tetrabutyl urea 1154.61
    diisobutyl methanol 909.16
    2-phenylethanol 1699.76
    styrene 2121.26
    dioctyl adipate 1367.49
    dimethyl sulfate 2737.91
    ethyl butyrate 3507.41
    methyl lactate 2176.77
    butyl lactate 2152.41
    diethyl carbonate 1703.68
    propanediol butyl ether 2239.89
    triethyl orthoformate 1791.32
    p-tert-butyltoluene 564.83
    methyl 4-tert-butylbenzoate 1446.92
    morpholine 18229.22
    tert-butylamine 5251.04
    n-dodecanol 436.65
    dimethoxymethane 8705.42
    ethylene carbonate 4260.91
    cyrene 1329.2
    2-ethoxyethyl acetate 4161.09
    2-ethylhexyl acetate 3069.47
    1,2,4-trichlorobenzene 3310.2
    4-methylpyridine 9719.36
    dibutyl ether 3018.47
    2,6-dimethyl-4-heptanol 909.16
    DEF 12496.26
    dimethyl isosorbide 2613.98
    tetrachloroethylene 9298.51
    eugenol 1426.36
    triacetin 2546.7
    span 80 1621.98
    1,4-butanediol 1756.85
    1,1-dichloroethane 14480.26
    2-methyl-1-pentanol 3463.39
    methyl formate 5181.66
    2-methyl-1-butanol 5927.04
    n-decane 190.96
    butyronitrile 10601.05
    3,7-dimethyl-1-octanol 1155.15
    1-chlorooctane 1133.28
    1-chlorotetradecane 304.02
    n-nonane 220.06
    undecane 119.77
    tert-butylcyclohexane 397.05
    cyclooctane 535.91
    cyclopentanol 7824.83
    tetrahydropyran 21315.63
    tert-amyl methyl ether 4947.84
    2,5,8-trioxanonane 2824.32
    1-hexene 5463.71
    2-isopropoxyethanol 3382.55
    2,2,2-trifluoroethanol 1420.64
    methyl butyrate 8538.13

    Scent© AI

1 of 3
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