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

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  • Identifiers

    CAS number
    72939-63-0

    Molecular formula
    C12H18O2

    SMILES
    CCCCCCC#CC(=O)OCC=C

    Safety labels

  • Odor profile

    Fragrance
    Green 79.79%
    Violet 51.58%
    Waxy 50.67%
    Floral 44.93%
    Fruity 42.97%
    Leafy 41.84%
    Fatty 40.55%
    Melon 37.85%
    Fresh 35.36%
    Oily 34.93%

     

    Flavor
    Fruity 33.61%
    Bitter 26.32%
    Herbal 24.48%
    Odorless 23.01%
    Bland 20.4%
    Parsley 19.66%
    Genet 19.48%
    Heather 19.37%
    Pear skin 19.35%
    Broom 19.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.16 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    249°C

    Flash point

    • 113.28 ˚C est.

  • Synonyms

    • Allyl 2-nonynoate
    • 2-Nonynoic acid, 2-propenyl ester
    • 72939-63-0
    • EINECS 277-111-8
    • 2-Nonynoic acid, 2-propen-1-yl ester
    • DTXSID7072678
    • RefChem:477267
    • DTXCID7047431
    • Allyl non-2-ynoate
    • PROP-2-EN-1-YL NON-2-YNOATE
    • SCHEMBL28522593
    • LBOWPISEXWHMQT-UHFFFAOYSA-N
    • NS00037443
    • 72939-63-0

  • Applications

    2-Nonynoic acid, 2-propen-1-yl ester (CAS 72939-63-0) is primarily used as an intermediate in polymer and specialty-chemical syntheses. It acts as a reactive monomer and a solvent-like diluent for polymerizable formulations, including UV-curable coatings, inks, and adhesives, where the allyl ester and alkyne functionalities enable crosslinking and post-polymerization modification. It serves as a building block for functional alkyne-containing polymers and resins via click-chemistry routes or esterification steps. In coatings, inks, and specialty resins, it is valued for providing reactive sites to tailor mechanical properties and network structure. It is typically handled as a chemical precursor under formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7434.8
    methanol 8707.69
    isopropanol 3861.23
    water 0.14
    ethyl acetate 7706.14
    n-propanol 4490.79
    acetone 12239.37
    n-butanol 3909.79
    acetonitrile 5690.19
    DMF 13744.13
    toluene 1755.38
    isobutanol 2829.95
    1,4-dioxane 4040.96
    methyl acetate 5037.14
    THF 8497.53
    2-butanone 8142.98
    n-pentanol 2305.7
    sec-butanol 3268.93
    n-hexane 365.6
    ethylene glycol 711.2
    NMP 6683.67
    cyclohexane 466.53
    DMSO 15226.16
    n-butyl acetate 3561.24
    n-octanol 550.02
    chloroform 5883.91
    n-propyl acetate 3469.94
    acetic acid 3786.38
    dichloromethane 7926.28
    cyclohexanone 8060.21
    propylene glycol 1163.9
    isopropyl acetate 3569.58
    DMAc 6241.65
    2-ethoxyethanol 3133.58
    isopentanol 2715.5
    n-heptane 103.46
    ethyl formate 2989.05
    1,2-dichloroethane 7862.05
    n-hexanol 1960.5
    2-methoxyethanol 6921.06
    isobutyl acetate 1470.68
    tetrachloromethane 551.88
    n-pentyl acetate 1611.05
    transcutol 8697.18
    n-heptanol 540.99
    ethylbenzene 725.98
    MIBK 2742.09
    2-propoxyethanol 3082.6
    tert-butanol 3356.5
    MTBE 3521.73
    2-butoxyethanol 1232.43
    propionic acid 2738.15
    o-xylene 756.97
    formic acid 1085.75
    diethyl ether 5168.9
    m-xylene 1043.35
    p-xylene 783.06
    chlorobenzene 2399.71
    dimethyl carbonate 1466.93
    n-octane 43.01
    formamide 2545.07
    cyclopentanone 8949.67
    2-pentanone 7519.34
    anisole 1725.0
    cyclopentyl methyl ether 4550.52
    gamma-butyrolactone 7984.29
    1-methoxy-2-propanol 4930.99
    pyridine 5142.91
    3-pentanone 4199.68
    furfural 4640.63
    n-dodecane 31.56
    diethylene glycol 2017.46
    diisopropyl ether 1044.16
    tert-amyl alcohol 2876.25
    acetylacetone 6309.94
    n-hexadecane 38.44
    acetophenone 1689.67
    methyl propionate 5317.23
    isopentyl acetate 2541.28
    trichloroethylene 11983.7
    n-nonanol 450.79
    cyclohexanol 2689.45
    benzyl alcohol 1321.12
    2-ethylhexanol 902.45
    isooctanol 441.48
    dipropyl ether 1254.65
    1,2-dichlorobenzene 1894.69
    ethyl lactate 857.05
    propylene carbonate 3213.1
    n-methylformamide 6170.79
    2-pentanol 2607.41
    n-pentane 275.82
    1-propoxy-2-propanol 2244.92
    1-methoxy-2-propyl acetate 2744.53
    2-(2-methoxypropoxy) propanol 1045.32
    mesitylene 532.68
    ε-caprolactone 4941.87
    p-cymene 310.39
    epichlorohydrin 8907.85
    1,1,1-trichloroethane 3964.05
    2-aminoethanol 1918.63
    morpholine-4-carbaldehyde 4528.25
    sulfolane 7609.76
    2,2,4-trimethylpentane 109.56
    2-methyltetrahydrofuran 6222.24
    n-hexyl acetate 1989.21
    isooctane 110.16
    2-(2-butoxyethoxy)ethanol 1795.54
    sec-butyl acetate 1905.42
    tert-butyl acetate 3235.65
    decalin 182.17
    glycerin 1109.55
    diglyme 3575.08
    acrylic acid 2039.82
    isopropyl myristate 499.63
    n-butyric acid 4931.36
    acetyl acetate 2747.68
    di(2-ethylhexyl) phthalate 397.49
    ethyl propionate 2731.43
    nitromethane 10002.02
    1,2-diethoxyethane 2859.36
    benzonitrile 1927.8
    trioctyl phosphate 298.51
    1-bromopropane 4028.77
    gamma-valerolactone 7761.67
    n-decanol 298.99
    triethyl phosphate 491.0
    4-methyl-2-pentanol 1001.29
    propionitrile 3640.27
    vinylene carbonate 2638.55
    1,1,2-trichlorotrifluoroethane 4272.81
    DMS 1637.83
    cumene 394.95
    2-octanol 426.91
    2-hexanone 3434.85
    octyl acetate 640.33
    limonene 581.82
    1,2-dimethoxyethane 4696.86
    ethyl orthosilicate 473.81
    tributyl phosphate 473.76
    diacetone alcohol 3173.24
    N,N-dimethylaniline 937.57
    acrylonitrile 4840.87
    aniline 1950.72
    1,3-propanediol 2766.66
    bromobenzene 2687.89
    dibromomethane 5286.63
    1,1,2,2-tetrachloroethane 8456.51
    2-methyl-cyclohexyl acetate 950.03
    tetrabutyl urea 666.71
    diisobutyl methanol 480.8
    2-phenylethanol 1136.19
    styrene 1141.46
    dioctyl adipate 719.06
    dimethyl sulfate 2272.18
    ethyl butyrate 1724.87
    methyl lactate 1529.23
    butyl lactate 1116.09
    diethyl carbonate 896.86
    propanediol butyl ether 1337.68
    triethyl orthoformate 864.93
    p-tert-butyltoluene 306.86
    methyl 4-tert-butylbenzoate 857.81
    morpholine 7094.84
    tert-butylamine 1827.85
    n-dodecanol 216.69
    dimethoxymethane 5526.25
    ethylene carbonate 2249.58
    cyrene 919.65
    2-ethoxyethyl acetate 2307.73
    2-ethylhexyl acetate 1732.95
    1,2,4-trichlorobenzene 2017.36
    4-methylpyridine 5236.42
    dibutyl ether 1084.27
    2,6-dimethyl-4-heptanol 480.8
    DEF 7000.99
    dimethyl isosorbide 1764.71
    tetrachloroethylene 4327.67
    eugenol 935.05
    triacetin 1334.49
    span 80 943.9
    1,4-butanediol 899.64
    1,1-dichloroethane 6119.09
    2-methyl-1-pentanol 1766.52
    methyl formate 3584.51
    2-methyl-1-butanol 2686.69
    n-decane 56.86
    butyronitrile 4053.68
    3,7-dimethyl-1-octanol 649.38
    1-chlorooctane 423.63
    1-chlorotetradecane 130.72
    n-nonane 58.99
    undecane 40.68
    tert-butylcyclohexane 157.13
    cyclooctane 110.96
    cyclopentanol 2715.97
    tetrahydropyran 6409.71
    tert-amyl methyl ether 2362.72
    2,5,8-trioxanonane 1884.56
    1-hexene 1763.77
    2-isopropoxyethanol 1836.14
    2,2,2-trifluoroethanol 750.48
    methyl butyrate 4065.17

    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