Methyl dodec-2-ynoate

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  • Identifiers

    CAS number
    10522-19-7

    Molecular formula
    C13H22O2

    SMILES
    CCCCCCCCCC#CC(=O)OC

  • Odor profile

    Fragrance
    Green 80.65%
    Waxy 67.72%
    Floral 64.26%
    Fatty 57.38%
    Fruity 50.39%
    Citrus 46.47%
    Fresh 46.28%
    Violet 46.03%
    Melon 42.26%
    Aldehydic 39.73%

     

    Flavor
    Bland 32.89%
    Mild 26.54%
    Odorless 24.77%
    Faint 23.77%
    Slightly waxy 21.4%
    Oily 21.24%
    Waxy 20.21%
    Delicate 20.2%
    Bay oil 20.13%
    Beer 19.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    6.56 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 120.0 ˚C est.

  • Synonyms

    • 10522-19-7
    • methyl dodec-2-ynoate
    • NSC 289577
    • 2-Dodecynoic acid, methyl ester
    • NSC289577
    • Methyl undecine carbonate
    • DTXSID80314894
    • AKOS014763253
    • NSC-289577

  • Applications

    Methyl dodec-2-ynoate serves primarily as an organic synthesis intermediate, enabling construction of complex molecules for pharmaceutical and agrochemical applications. It is used as a reactive monomer or co-monomer in specialty polymers and resins for coatings, adhesives, and electronics, providing alkyne functionality for crosslinking and advanced material design. The ester also functions as a building block in click-chemistry workflows (copper-catalyzed azide-alkyne cycloadditions) to furnish functionalized materials and surface modifiers. In addition, it acts as a platform for preparing other alkynyl intermediates and specialty chemicals in industrial manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9349.36
    methanol 11241.66
    isopropanol 7272.7
    water 0.06
    ethyl acetate 10284.87
    n-propanol 6907.79
    acetone 18502.8
    n-butanol 5396.01
    acetonitrile 8464.17
    DMF 12460.63
    toluene 1806.64
    isobutanol 4550.31
    1,4-dioxane 7374.53
    methyl acetate 6280.24
    THF 11177.93
    2-butanone 9996.16
    n-pentanol 3203.72
    sec-butanol 5093.72
    n-hexane 575.37
    ethylene glycol 677.62
    NMP 5506.84
    cyclohexane 1157.92
    DMSO 15780.59
    n-butyl acetate 4041.58
    n-octanol 664.82
    chloroform 8810.37
    n-propyl acetate 4949.37
    acetic acid 4133.71
    dichloromethane 11019.62
    cyclohexanone 11921.4
    propylene glycol 1337.62
    isopropyl acetate 4694.34
    DMAc 4577.06
    2-ethoxyethanol 4519.78
    isopentanol 3633.36
    n-heptane 187.91
    ethyl formate 3856.69
    1,2-dichloroethane 9818.34
    n-hexanol 2147.83
    2-methoxyethanol 9089.39
    isobutyl acetate 2006.9
    tetrachloromethane 1297.31
    n-pentyl acetate 2119.2
    transcutol 9094.94
    n-heptanol 683.6
    ethylbenzene 771.19
    MIBK 3324.97
    2-propoxyethanol 3294.18
    tert-butanol 6052.37
    MTBE 5478.42
    2-butoxyethanol 1636.38
    propionic acid 3782.98
    o-xylene 771.4
    formic acid 1036.91
    diethyl ether 8930.41
    m-xylene 1054.44
    p-xylene 872.17
    chlorobenzene 2412.74
    dimethyl carbonate 1286.88
    n-octane 73.93
    formamide 3052.21
    cyclopentanone 10692.34
    2-pentanone 9886.05
    anisole 1690.03
    cyclopentyl methyl ether 6150.4
    gamma-butyrolactone 8919.11
    1-methoxy-2-propanol 6076.59
    pyridine 6654.68
    3-pentanone 5062.63
    furfural 4998.19
    n-dodecane 41.63
    diethylene glycol 1968.85
    diisopropyl ether 1503.9
    tert-amyl alcohol 4082.72
    acetylacetone 6800.79
    n-hexadecane 51.41
    acetophenone 1587.37
    methyl propionate 5937.39
    isopentyl acetate 2733.54
    trichloroethylene 13040.27
    n-nonanol 548.84
    cyclohexanol 4531.77
    benzyl alcohol 1386.36
    2-ethylhexanol 1004.78
    isooctanol 578.29
    dipropyl ether 2019.73
    1,2-dichlorobenzene 1954.54
    ethyl lactate 1058.33
    propylene carbonate 3581.96
    n-methylformamide 7389.57
    2-pentanol 3602.98
    n-pentane 479.01
    1-propoxy-2-propanol 2555.47
    1-methoxy-2-propyl acetate 2845.0
    2-(2-methoxypropoxy) propanol 1047.91
    mesitylene 617.77
    ε-caprolactone 6608.41
    p-cymene 352.32
    epichlorohydrin 10426.55
    1,1,1-trichloroethane 6312.71
    2-aminoethanol 2392.17
    morpholine-4-carbaldehyde 4715.35
    sulfolane 8370.65
    2,2,4-trimethylpentane 133.08
    2-methyltetrahydrofuran 9084.55
    n-hexyl acetate 2244.36
    isooctane 121.44
    2-(2-butoxyethoxy)ethanol 1814.58
    sec-butyl acetate 2515.0
    tert-butyl acetate 3946.16
    decalin 241.57
    glycerin 1268.93
    diglyme 4198.53
    acrylic acid 2278.84
    isopropyl myristate 568.21
    n-butyric acid 6555.84
    acetyl acetate 3057.24
    di(2-ethylhexyl) phthalate 412.36
    ethyl propionate 3663.66
    nitromethane 11687.68
    1,2-diethoxyethane 3621.99
    benzonitrile 2139.28
    trioctyl phosphate 332.02
    1-bromopropane 5770.9
    gamma-valerolactone 10376.14
    n-decanol 357.66
    triethyl phosphate 553.04
    4-methyl-2-pentanol 1278.63
    propionitrile 5617.29
    vinylene carbonate 2963.96
    1,1,2-trichlorotrifluoroethane 5236.73
    DMS 1427.73
    cumene 414.92
    2-octanol 550.71
    2-hexanone 4384.17
    octyl acetate 726.19
    limonene 670.87
    1,2-dimethoxyethane 6668.44
    ethyl orthosilicate 567.42
    tributyl phosphate 491.23
    diacetone alcohol 3660.28
    N,N-dimethylaniline 845.67
    acrylonitrile 5639.71
    aniline 2279.99
    1,3-propanediol 3524.0
    bromobenzene 2720.62
    dibromomethane 7656.13
    1,1,2,2-tetrachloroethane 9881.15
    2-methyl-cyclohexyl acetate 1073.02
    tetrabutyl urea 659.42
    diisobutyl methanol 566.21
    2-phenylethanol 1091.79
    styrene 1184.81
    dioctyl adipate 822.74
    dimethyl sulfate 1933.19
    ethyl butyrate 2214.27
    methyl lactate 1543.47
    butyl lactate 1349.38
    diethyl carbonate 1120.29
    propanediol butyl ether 1517.69
    triethyl orthoformate 1130.49
    p-tert-butyltoluene 342.2
    methyl 4-tert-butylbenzoate 952.21
    morpholine 12333.15
    tert-butylamine 3195.65
    n-dodecanol 254.67
    dimethoxymethane 6166.71
    ethylene carbonate 2794.17
    cyrene 956.43
    2-ethoxyethyl acetate 2819.49
    2-ethylhexyl acetate 1900.12
    1,2,4-trichlorobenzene 2098.95
    4-methylpyridine 5686.46
    dibutyl ether 1512.29
    2,6-dimethyl-4-heptanol 566.21
    DEF 7974.59
    dimethyl isosorbide 1818.57
    tetrachloroethylene 5888.26
    eugenol 976.27
    triacetin 1628.52
    span 80 1066.93
    1,4-butanediol 1143.28
    1,1-dichloroethane 8885.78
    2-methyl-1-pentanol 2142.61
    methyl formate 3591.15
    2-methyl-1-butanol 3452.24
    n-decane 88.08
    butyronitrile 6148.34
    3,7-dimethyl-1-octanol 684.64
    1-chlorooctane 560.77
    1-chlorotetradecane 162.34
    n-nonane 96.97
    undecane 57.43
    tert-butylcyclohexane 199.25
    cyclooctane 217.86
    cyclopentanol 4389.02
    tetrahydropyran 12304.65
    tert-amyl methyl ether 3085.15
    2,5,8-trioxanonane 1965.11
    1-hexene 2503.38
    2-isopropoxyethanol 2458.96
    2,2,2-trifluoroethanol 951.15
    methyl butyrate 5430.99

    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