Ethyl 2-octynoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    10519-20-7

    Molecular formula
    C10H16O2

    SMILES
    CCCCCC#CC(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 82.71%
    Violet 64.78%
    Floral 56.95%
    Waxy 52.99%
    Leafy 48.53%
    Fatty 39.25%
    Melon 38.65%
    Cucumber 37.67%
    Oily 35.91%
    Fruity 33.64%

     

    Flavor
    Fruity 40.75%
    Bitter 27.31%
    Bland 24.36%
    Mild 23.14%
    Odorless 21.71%
    Parsley 20.23%
    Pear skin 19.75%
    Heather 19.66%
    Genet 19.57%
    Cedarleaf 19.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.45 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    214°C

    Flash point

    • 91.34 ˚C est.

  • Synonyms

    • Ethyl 2-octynoate
    • 10519-20-7
    • Ethyl oct-2-ynoate
    • 2-Octynoic acid, ethyl ester
    • Ethyl 2-octynate
    • 2-Octynoic Acid Ethyl Ester
    • Ethyl heptynecarbonate
    • Ethyl heptine carbonate
    • XTH780U0N3
    • Ethyl heptyne carboxylate
    • EINECS 234-058-5
    • NSC 74485
    • NSC-74485
    • ETHYL PENTYLPROPIOLATE
    • UNII-XTH780U0N3
    • AI3-35774
    • DTXSID9065104
    • QPMDWYXUSMRVKT-UHFFFAOYSA-
    • MFCD00015286
    • ethyl n-oct-2-ynoate
    • SCHEMBL1089589
    • DTXCID1032937
    • NSC74485
    • AKOS006229393
    • AS-76426
    • DB-040594
    • CS-0297444
    • NS00023356
    • O0253
    • EN300-786984

  • Applications

    Ethyl 2-octynoate (CAS 10519-20-7) is primarily used as a synthetic intermediate in organic synthesis. Its ethyl ester and terminal alkyne functionality enable it to participate in acetylenic transformations and click-type chemistries, supporting routes to fragrance compounds and functional polymer materials. It is employed as a reactive monomer or crosslinkable building block in coatings, inks, and adhesives formulations, taking advantage of the alkyne group for network formation. In polymer science, it serves as a precursor for functionalized polyesters and related materials. In research and development, it is encountered as a reagent and building block for various acetylenic transformations, with use governed by safety and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20266.87
    methanol 26482.38
    isopropanol 11384.82
    water 0.93
    ethyl acetate 15328.65
    n-propanol 11476.77
    acetone 31787.65
    n-butanol 10197.89
    acetonitrile 18636.83
    DMF 33382.65
    toluene 3424.12
    isobutanol 7110.88
    1,4-dioxane 11573.33
    methyl acetate 10326.2
    THF 16157.5
    2-butanone 14646.9
    n-pentanol 5095.93
    sec-butanol 7599.6
    n-hexane 972.23
    ethylene glycol 2826.53
    NMP 14269.81
    cyclohexane 1622.21
    DMSO 35867.55
    n-butyl acetate 6449.09
    n-octanol 1265.96
    chloroform 15685.94
    n-propyl acetate 5520.39
    acetic acid 15428.75
    dichloromethane 19432.12
    cyclohexanone 17800.34
    propylene glycol 3508.57
    isopropyl acetate 6252.64
    DMAc 10384.24
    2-ethoxyethanol 6086.58
    isopentanol 6361.51
    n-heptane 269.98
    ethyl formate 7282.56
    1,2-dichloroethane 16776.39
    n-hexanol 4447.98
    2-methoxyethanol 16769.37
    isobutyl acetate 2213.53
    tetrachloromethane 1686.17
    n-pentyl acetate 2774.13
    transcutol 15823.2
    n-heptanol 1129.01
    ethylbenzene 1281.85
    MIBK 4420.07
    2-propoxyethanol 6083.16
    tert-butanol 8892.47
    MTBE 6414.53
    2-butoxyethanol 2334.06
    propionic acid 8410.58
    o-xylene 1284.41
    formic acid 4537.12
    diethyl ether 10534.02
    m-xylene 1813.63
    p-xylene 1541.35
    chlorobenzene 5110.5
    dimethyl carbonate 2971.59
    n-octane 111.12
    formamide 9659.07
    cyclopentanone 17209.94
    2-pentanone 13974.52
    anisole 3059.57
    cyclopentyl methyl ether 8387.35
    gamma-butyrolactone 16188.36
    1-methoxy-2-propanol 10399.65
    pyridine 13113.94
    3-pentanone 7597.88
    furfural 10319.14
    n-dodecane 78.15
    diethylene glycol 4486.48
    diisopropyl ether 1771.95
    tert-amyl alcohol 5919.32
    acetylacetone 12431.72
    n-hexadecane 95.67
    acetophenone 2690.71
    methyl propionate 9735.57
    isopentyl acetate 4035.49
    trichloroethylene 26539.61
    n-nonanol 1005.51
    cyclohexanol 7373.21
    benzyl alcohol 2709.36
    2-ethylhexanol 1710.33
    isooctanol 841.05
    dipropyl ether 2440.75
    1,2-dichlorobenzene 3702.87
    ethyl lactate 1539.91
    propylene carbonate 6408.25
    n-methylformamide 16592.58
    2-pentanol 5754.22
    n-pentane 836.36
    1-propoxy-2-propanol 4054.3
    1-methoxy-2-propyl acetate 4439.88
    2-(2-methoxypropoxy) propanol 1798.73
    mesitylene 953.67
    ε-caprolactone 9938.73
    p-cymene 525.62
    epichlorohydrin 16557.23
    1,1,1-trichloroethane 9836.77
    2-aminoethanol 5713.78
    morpholine-4-carbaldehyde 10218.47
    sulfolane 16587.37
    2,2,4-trimethylpentane 212.27
    2-methyltetrahydrofuran 11664.16
    n-hexyl acetate 3656.43
    isooctane 206.34
    2-(2-butoxyethoxy)ethanol 3464.92
    sec-butyl acetate 2630.36
    tert-butyl acetate 5468.91
    decalin 390.94
    glycerin 3680.73
    diglyme 6635.21
    acrylic acid 6805.93
    isopropyl myristate 936.14
    n-butyric acid 13337.31
    acetyl acetate 5866.41
    di(2-ethylhexyl) phthalate 736.16
    ethyl propionate 4290.35
    nitromethane 29532.54
    1,2-diethoxyethane 5094.6
    benzonitrile 4201.02
    trioctyl phosphate 610.85
    1-bromopropane 8459.01
    gamma-valerolactone 17154.29
    n-decanol 677.3
    triethyl phosphate 773.23
    4-methyl-2-pentanol 1886.65
    propionitrile 9226.54
    vinylene carbonate 5846.9
    1,1,2-trichlorotrifluoroethane 10140.46
    DMS 2945.35
    cumene 656.49
    2-octanol 894.83
    2-hexanone 5646.81
    octyl acetate 1281.89
    limonene 1089.37
    1,2-dimethoxyethane 10215.63
    ethyl orthosilicate 773.94
    tributyl phosphate 952.43
    diacetone alcohol 5501.25
    N,N-dimethylaniline 1599.13
    acrylonitrile 12516.83
    aniline 4970.98
    1,3-propanediol 8520.23
    bromobenzene 5566.02
    dibromomethane 12618.91
    1,1,2,2-tetrachloroethane 18059.35
    2-methyl-cyclohexyl acetate 1460.46
    tetrabutyl urea 1264.63
    diisobutyl methanol 835.4
    2-phenylethanol 2129.24
    styrene 2181.8
    dioctyl adipate 1357.94
    dimethyl sulfate 4444.82
    ethyl butyrate 2994.64
    methyl lactate 3219.53
    butyl lactate 2034.67
    diethyl carbonate 1559.4
    propanediol butyl ether 2937.15
    triethyl orthoformate 1466.99
    p-tert-butyltoluene 512.57
    methyl 4-tert-butylbenzoate 1446.48
    morpholine 17626.78
    tert-butylamine 5010.66
    n-dodecanol 486.02
    dimethoxymethane 10594.39
    ethylene carbonate 5108.59
    cyrene 1528.0
    2-ethoxyethyl acetate 3803.12
    2-ethylhexyl acetate 2761.22
    1,2,4-trichlorobenzene 3906.97
    4-methylpyridine 11973.47
    dibutyl ether 2267.62
    2,6-dimethyl-4-heptanol 835.4
    DEF 13831.58
    dimethyl isosorbide 2925.61
    tetrachloroethylene 10502.04
    eugenol 1688.48
    triacetin 2590.68
    span 80 1976.53
    1,4-butanediol 2373.82
    1,1-dichloroethane 13710.1
    2-methyl-1-pentanol 3384.99
    methyl formate 9286.85
    2-methyl-1-butanol 5881.07
    n-decane 146.35
    butyronitrile 11008.19
    3,7-dimethyl-1-octanol 1253.16
    1-chlorooctane 900.58
    1-chlorotetradecane 279.5
    n-nonane 158.95
    undecane 103.44
    tert-butylcyclohexane 320.7
    cyclooctane 320.46
    cyclopentanol 6997.83
    tetrahydropyran 15841.24
    tert-amyl methyl ether 3693.36
    2,5,8-trioxanonane 3455.31
    1-hexene 3945.11
    2-isopropoxyethanol 3108.91
    2,2,2-trifluoroethanol 2701.9
    methyl butyrate 6860.64

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Esters of 2-Octynoic acid (except Methyl heptine carbonate) should not be used as a fragrance ingredient.
For Methyl heptine carbonate (CAS number 111-12-6), please refer to the IFRA Restricted Standard
Methyl heptine carbonate.