2-Undecynoic acid, ethyl ester

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  • Identifiers

    CAS number
    10519-17-2

    Molecular formula
    C13H22O2

    SMILES
    CCCCCCCCC#CC(=O)OCC

  • Odor profile

    Fragrance
    Green 76.08%
    Waxy 58.41%
    Floral 57.53%
    Violet 51.81%
    Fatty 44.24%
    Leafy 36.37%
    Fresh 36.09%
    Melon 35.62%
    Oily 35.06%
    Fruity 33.34%

     

    Flavor
    Bland 31.86%
    Mild 27.94%
    Odorless 24.6%
    Oily 23.36%
    Fruity 22.99%
    Waxy 22.01%
    Bitter 21.91%
    Slightly waxy 21.12%
    Faint 20.97%
    Parsley 20.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.37 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 120.18 ˚C est.

  • Synonyms

    • Ethyl undec-2-ynoate
    • 10519-17-2
    • Ethyl 2-Undecynoate
    • 2-Undecynoic Acid Ethyl Ester
    • 2-Undecynoic acid, ethyl ester
    • Ethyl decine carbonate
    • 2-Undecynoic acid,ethyl ester
    • EINECS 234-056-4
    • DTXSID4065103
    • Ethylundec-2-ynoate
    • Ethyl decyne carbonate
    • ED4ZSK4KGA
    • ethyl n-hendec-2-ynoate
    • DTXCID6032936
    • AKOS015837619
    • CS-0448533
    • NS00023355
    • U0064
    • D92771

  • Applications

    2-Undecynoic acid, ethyl ester (CAS 10519-17-2) is an important synthetic precursor in organic chemistry, particularly for introducing an alkyne function into long-chain fatty acid derivatives. In industry, it is used as an intermediate for alkyne-functional compounds and serves as a building block for specialty polymers and coatings that can undergo click chemistry or crosslinking. It is also viewed as a starting point for routes to pharmaceutical and agrochemical candidates bearing the alkyne motif. In materials and coatings contexts (polymers/plastics and coatings/inks), it can provide a versatile building block for surface-modification or grafting chemistries enabled by the alkyne group. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17611.19
    methanol 22270.08
    isopropanol 12535.83
    water 0.15
    ethyl acetate 14535.21
    n-propanol 11917.03
    acetone 30746.21
    n-butanol 9803.79
    acetonitrile 15334.64
    DMF 19564.03
    toluene 3195.58
    isobutanol 7818.89
    1,4-dioxane 10818.29
    methyl acetate 9235.91
    THF 16446.1
    2-butanone 14968.41
    n-pentanol 5545.86
    sec-butanol 8647.92
    n-hexane 1402.54
    ethylene glycol 1298.08
    NMP 8550.18
    cyclohexane 2451.83
    DMSO 24749.15
    n-butyl acetate 6423.99
    n-octanol 1199.2
    chloroform 13906.36
    n-propyl acetate 7074.81
    acetic acid 8001.86
    dichloromethane 17692.34
    cyclohexanone 19546.14
    propylene glycol 2140.44
    isopropyl acetate 6604.92
    DMAc 7063.71
    2-ethoxyethanol 6044.13
    isopentanol 6115.91
    n-heptane 396.37
    ethyl formate 5939.11
    1,2-dichloroethane 15312.89
    n-hexanol 3865.57
    2-methoxyethanol 12595.52
    isobutyl acetate 2790.05
    tetrachloromethane 1931.31
    n-pentyl acetate 3234.83
    transcutol 12650.81
    n-heptanol 1136.33
    ethylbenzene 1287.13
    MIBK 4673.69
    2-propoxyethanol 5006.33
    tert-butanol 9066.02
    MTBE 8326.06
    2-butoxyethanol 2303.99
    propionic acid 6211.46
    o-xylene 1213.27
    formic acid 1833.53
    diethyl ether 13939.1
    m-xylene 1650.61
    p-xylene 1572.45
    chlorobenzene 4108.19
    dimethyl carbonate 1894.7
    n-octane 146.31
    formamide 4610.57
    cyclopentanone 15857.16
    2-pentanone 15307.78
    anisole 2538.44
    cyclopentyl methyl ether 8962.33
    gamma-butyrolactone 12811.8
    1-methoxy-2-propanol 8441.29
    pyridine 11063.3
    3-pentanone 7785.49
    furfural 7199.49
    n-dodecane 80.85
    diethylene glycol 2992.46
    diisopropyl ether 2265.47
    tert-amyl alcohol 6222.48
    acetylacetone 9691.99
    n-hexadecane 99.57
    acetophenone 2388.61
    methyl propionate 8350.29
    isopentyl acetate 4094.74
    trichloroethylene 19609.68
    n-nonanol 955.15
    cyclohexanol 7931.85
    benzyl alcohol 2164.63
    2-ethylhexanol 1756.37
    isooctanol 918.97
    dipropyl ether 3215.53
    1,2-dichlorobenzene 2995.25
    ethyl lactate 1451.38
    propylene carbonate 5157.82
    n-methylformamide 10750.56
    2-pentanol 6195.6
    n-pentane 1095.3
    1-propoxy-2-propanol 3840.4
    1-methoxy-2-propyl acetate 3938.22
    2-(2-methoxypropoxy) propanol 1460.48
    mesitylene 938.1
    ε-caprolactone 9834.87
    p-cymene 550.75
    epichlorohydrin 13921.62
    1,1,1-trichloroethane 9196.66
    2-aminoethanol 4014.95
    morpholine-4-carbaldehyde 6848.81
    sulfolane 12403.22
    2,2,4-trimethylpentane 238.89
    2-methyltetrahydrofuran 13222.2
    n-hexyl acetate 3670.99
    isooctane 219.18
    2-(2-butoxyethoxy)ethanol 2633.08
    sec-butyl acetate 3357.42
    tert-butyl acetate 5280.85
    decalin 461.49
    glycerin 1920.42
    diglyme 5643.42
    acrylic acid 3836.68
    isopropyl myristate 921.62
    n-butyric acid 10722.8
    acetyl acetate 4549.1
    di(2-ethylhexyl) phthalate 656.14
    ethyl propionate 4944.81
    nitromethane 18899.33
    1,2-diethoxyethane 5257.33
    benzonitrile 3460.59
    trioctyl phosphate 548.35
    1-bromopropane 10008.52
    gamma-valerolactone 14491.55
    n-decanol 611.25
    triethyl phosphate 788.29
    4-methyl-2-pentanol 1922.03
    propionitrile 8932.21
    vinylene carbonate 4304.83
    1,1,2-trichlorotrifluoroethane 7184.06
    DMS 2216.57
    cumene 667.22
    2-octanol 936.21
    2-hexanone 6809.89
    octyl acetate 1207.26
    limonene 1126.92
    1,2-dimethoxyethane 9647.95
    ethyl orthosilicate 794.26
    tributyl phosphate 800.42
    diacetone alcohol 4752.87
    N,N-dimethylaniline 1312.62
    acrylonitrile 9162.97
    aniline 3876.53
    1,3-propanediol 5770.07
    bromobenzene 4672.32
    dibromomethane 12641.87
    1,1,2,2-tetrachloroethane 14253.28
    2-methyl-cyclohexyl acetate 1560.68
    tetrabutyl urea 1104.26
    diisobutyl methanol 855.54
    2-phenylethanol 1722.15
    styrene 2088.4
    dioctyl adipate 1287.22
    dimethyl sulfate 2750.41
    ethyl butyrate 3246.97
    methyl lactate 2191.2
    butyl lactate 1992.55
    diethyl carbonate 1594.16
    propanediol butyl ether 2260.28
    triethyl orthoformate 1600.74
    p-tert-butyltoluene 526.29
    methyl 4-tert-butylbenzoate 1336.8
    morpholine 17402.56
    tert-butylamine 5133.0
    n-dodecanol 429.7
    dimethoxymethane 8600.28
    ethylene carbonate 4076.91
    cyrene 1280.73
    2-ethoxyethyl acetate 3894.12
    2-ethylhexyl acetate 2846.19
    1,2,4-trichlorobenzene 3214.08
    4-methylpyridine 9620.53
    dibutyl ether 2702.36
    2,6-dimethyl-4-heptanol 855.54
    DEF 11922.66
    dimethyl isosorbide 2524.24
    tetrachloroethylene 8960.06
    eugenol 1390.75
    triacetin 2374.86
    span 80 1609.11
    1,4-butanediol 1907.25
    1,1-dichloroethane 14069.5
    2-methyl-1-pentanol 3550.69
    methyl formate 5523.77
    2-methyl-1-butanol 5859.36
    n-decane 168.65
    butyronitrile 10839.6
    3,7-dimethyl-1-octanol 1137.63
    1-chlorooctane 1025.12
    1-chlorotetradecane 285.22
    n-nonane 195.7
    undecane 109.66
    tert-butylcyclohexane 365.12
    cyclooctane 455.06
    cyclopentanol 7559.2
    tetrahydropyran 19451.1
    tert-amyl methyl ether 4525.92
    2,5,8-trioxanonane 2786.75
    1-hexene 5190.79
    2-isopropoxyethanol 3279.34
    2,2,2-trifluoroethanol 1500.39
    methyl butyrate 7750.45

    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