2-Octynoic acid, 2-propen-1-yl ester

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  • Identifiers

    CAS number
    73157-43-4

    Molecular formula
    C11H16O2

    SMILES
    CCCCCC#CC(=O)OCC=C

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 80.57%
    Fruity 50.94%
    Violet 48.46%
    Waxy 45.71%
    Leafy 42.44%
    Floral 40.63%
    Fatty 36.41%
    Melon 36.15%
    Tropical 35.14%
    Metallic 34.97%

     

    Flavor
    Fruity 36.89%
    Bitter 25.74%
    Odorless 22.68%
    Herbal 21.49%
    Parsley 19.45%
    Genet 19.38%
    Ethyl benzoate 19.32%
    Broom 19.26%
    Heather 19.24%
    Pear skin 19.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.05 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 104.5 ˚C est.

  • Synonyms

    • 2-Octynoic acid, 2-propen-1-yl ester
    • Allyl oct-2-ynoate
    • 73157-43-4
    • 2-Octynoic acid, 2-propenyl ester
    • prop-2-enyl oct-2-ynoate
    • EINECS 277-303-1
    • DTXSID30868231
    • SCHEMBL3505865
    • DTXCID90816359
    • YJHAHRNANWIZTN-UHFFFAOYSA-N
    • NS00011948
    • 277-303-1

  • Applications

    The allyl ester of 2-Octynoic acid, 2-propen-1-yl ester (CAS 73157-43-4) can serve as a functional monomer and intermediate in polymer and materials synthesis. It may participate in copolymerization to form resins and polymers with crosslinking potential, suitable for coatings and UV-curable inks. The allyl group enables post-polymerization modification, while the alkyne moiety provides a handle for click-type chemistries to functionalize surfaces and link with additives. It is also used as an intermediate for the synthesis of specialty chemicals used in adhesives and coating formulations. Depending on formulation and local regulations, its use in polymer and specialty materials may be considered.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7273.8
    methanol 8925.4
    isopropanol 3382.89
    water 0.26
    ethyl acetate 7011.39
    n-propanol 4335.0
    acetone 10713.79
    n-butanol 3836.74
    acetonitrile 5423.83
    DMF 14111.99
    toluene 1704.53
    isobutanol 2608.13
    1,4-dioxane 3754.64
    methyl acetate 4666.05
    THF 7514.07
    2-butanone 7028.67
    n-pentanol 2143.5
    sec-butanol 2964.23
    n-hexane 283.63
    ethylene glycol 873.31
    NMP 6712.56
    cyclohexane 381.69
    DMSO 14333.3
    n-butyl acetate 3186.58
    n-octanol 523.24
    chloroform 5508.37
    n-propyl acetate 2874.83
    acetic acid 4238.05
    dichloromethane 7434.09
    cyclohexanone 7025.4
    propylene glycol 1289.59
    isopropyl acetate 3090.18
    DMAc 6271.11
    2-ethoxyethanol 2907.86
    isopentanol 2621.42
    n-heptane 87.77
    ethyl formate 2950.79
    1,2-dichloroethane 7275.67
    n-hexanol 1849.63
    2-methoxyethanol 6957.69
    isobutyl acetate 1221.01
    tetrachloromethane 463.84
    n-pentyl acetate 1392.19
    transcutol 8326.59
    n-heptanol 497.34
    ethylbenzene 699.12
    MIBK 2422.85
    2-propoxyethanol 2988.2
    tert-butanol 3000.14
    MTBE 2758.54
    2-butoxyethanol 1147.22
    propionic acid 2772.26
    o-xylene 724.27
    formic acid 1409.45
    diethyl ether 4165.9
    m-xylene 980.56
    p-xylene 720.71
    chlorobenzene 2386.47
    dimethyl carbonate 1481.54
    n-octane 36.92
    formamide 3020.37
    cyclopentanone 7687.33
    2-pentanone 6385.58
    anisole 1710.69
    cyclopentyl methyl ether 3902.38
    gamma-butyrolactone 7249.87
    1-methoxy-2-propanol 4802.55
    pyridine 5018.48
    3-pentanone 3690.84
    furfural 4726.62
    n-dodecane 28.82
    diethylene glycol 2115.31
    diisopropyl ether 845.72
    tert-amyl alcohol 2518.83
    acetylacetone 5879.63
    n-hexadecane 34.71
    acetophenone 1635.88
    methyl propionate 4952.84
    isopentyl acetate 2253.79
    trichloroethylene 11987.76
    n-nonanol 430.2
    cyclohexanol 2523.66
    benzyl alcohol 1364.58
    2-ethylhexanol 830.62
    isooctanol 396.75
    dipropyl ether 1003.47
    1,2-dichlorobenzene 1880.83
    ethyl lactate 810.42
    propylene carbonate 3027.96
    n-methylformamide 6317.48
    2-pentanol 2391.74
    n-pentane 243.68
    1-propoxy-2-propanol 2120.24
    1-methoxy-2-propyl acetate 2539.92
    2-(2-methoxypropoxy) propanol 1010.9
    mesitylene 485.91
    ε-caprolactone 4577.22
    p-cymene 288.67
    epichlorohydrin 8331.62
    1,1,1-trichloroethane 3526.67
    2-aminoethanol 2089.22
    morpholine-4-carbaldehyde 4733.62
    sulfolane 6882.72
    2,2,4-trimethylpentane 96.16
    2-methyltetrahydrofuran 5297.22
    n-hexyl acetate 1807.35
    isooctane 94.68
    2-(2-butoxyethoxy)ethanol 1793.02
    sec-butyl acetate 1590.91
    tert-butyl acetate 2829.9
    decalin 156.19
    glycerin 1309.47
    diglyme 3456.09
    acrylic acid 2290.91
    isopropyl myristate 446.55
    n-butyric acid 4864.61
    acetyl acetate 2700.66
    di(2-ethylhexyl) phthalate 380.0
    ethyl propionate 2326.27
    nitromethane 10504.31
    1,2-diethoxyethane 2515.94
    benzonitrile 1942.7
    trioctyl phosphate 279.81
    1-bromopropane 3463.32
    gamma-valerolactone 7251.66
    n-decanol 291.11
    triethyl phosphate 448.45
    4-methyl-2-pentanol 906.57
    propionitrile 3487.28
    vinylene carbonate 2680.39
    1,1,2-trichlorotrifluoroethane 4196.39
    DMS 1593.02
    cumene 372.45
    2-octanol 385.82
    2-hexanone 2877.89
    octyl acetate 587.1
    limonene 531.95
    1,2-dimethoxyethane 4404.84
    ethyl orthosilicate 424.79
    tributyl phosphate 451.28
    diacetone alcohol 2932.55
    N,N-dimethylaniline 941.93
    acrylonitrile 4957.71
    aniline 2008.09
    1,3-propanediol 2966.2
    bromobenzene 2640.95
    dibromomethane 4839.74
    1,1,2,2-tetrachloroethane 8142.08
    2-methyl-cyclohexyl acetate 832.09
    tetrabutyl urea 632.21
    diisobutyl methanol 434.93
    2-phenylethanol 1169.42
    styrene 1103.12
    dioctyl adipate 660.42
    dimethyl sulfate 2247.32
    ethyl butyrate 1552.33
    methyl lactate 1597.44
    butyl lactate 1011.19
    diethyl carbonate 837.2
    propanediol butyl ether 1335.49
    triethyl orthoformate 761.6
    p-tert-butyltoluene 280.48
    methyl 4-tert-butylbenzoate 788.7
    morpholine 6572.7
    tert-butylamine 1608.55
    n-dodecanol 207.4
    dimethoxymethane 5208.38
    ethylene carbonate 2232.89
    cyrene 873.24
    2-ethoxyethyl acetate 2052.9
    2-ethylhexyl acetate 1512.89
    1,2,4-trichlorobenzene 1961.53
    4-methylpyridine 5207.94
    dibutyl ether 921.66
    2,6-dimethyl-4-heptanol 434.93
    DEF 6590.11
    dimethyl isosorbide 1661.54
    tetrachloroethylene 4127.68
    eugenol 898.76
    triacetin 1228.76
    span 80 915.05
    1,4-butanediol 920.34
    1,1-dichloroethane 5312.14
    2-methyl-1-pentanol 1691.63
    methyl formate 3846.22
    2-methyl-1-butanol 2601.62
    n-decane 50.2
    butyronitrile 3874.01
    3,7-dimethyl-1-octanol 614.7
    1-chlorooctane 384.12
    1-chlorotetradecane 118.54
    n-nonane 51.62
    undecane 36.44
    tert-butylcyclohexane 135.64
    cyclooctane 97.94
    cyclopentanol 2492.93
    tetrahydropyran 5458.06
    tert-amyl methyl ether 2004.56
    2,5,8-trioxanonane 1874.22
    1-hexene 1436.98
    2-isopropoxyethanol 1640.85
    2,2,2-trifluoroethanol 823.62
    methyl butyrate 3501.71

    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
Allyl heptine carbonate should not be used as a fragrance ingredient.