5-Eicosyne

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74685-31-7

    Molecular formula
    C20H38

    SMILES
    CCCCCCCCCCCCCCC#CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.8%
    Fatty 39.56%
    Oily 35.72%
    Green 33.26%
    Fresh 30.63%
    Fruity 27.45%
    Citrus 27.22%
    Meaty 27.05%
    Metallic 23.85%
    Gassy 22.49%

     

    Flavor
    Alkane 29.3%
    Bland 26.15%
    Waxy 25.87%
    Delicate 20.59%
    Slightly waxy 20.35%
    Faint 20.25%
    Mild 19.51%
    Diterpene 18.94%
    Oriental 18.9%
    Low 18.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    7.45 (neutral)

    Molecular weight
    278.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 161.39 ˚C est.

  • Synonyms

    • 5-Eicosyne
    • 74685-31-7
    • RefChem:102509
    • ZPJDHJXVUOPHKD-UHFFFAOYSA-N
    • 5-Icosyne
    • icos-5-yne
    • 5-Icosyne #
    • LZZ7Y85KYJ
    • SCHEMBL5984185
    • CHEBI:184689
    • DTXSID001318430
    • 74685-31-7

  • Applications

    5-Eicosyne is primarily used as an organic synthesis intermediate and a reactive building block for alkyne-containing compounds. In industry, it serves as a precursor for the production of specialty chemicals and materials, including polymeric systems and advanced coatings. In research and development, it is evaluated for alkyne chemistries such as the Sonogashira coupling to assemble complex molecules. It may also be employed as a building block for specialty additives or in electronic and optoelectronic materials where long alkynyl chains contribute to conjugation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 417.72
    methanol 239.09
    isopropanol 634.29
    water 0.02
    ethyl acetate 3350.4
    n-propanol 651.42
    acetone 2490.39
    n-butanol 936.4
    acetonitrile 729.43
    DMF 1451.25
    toluene 1377.69
    isobutanol 702.89
    1,4-dioxane 3335.27
    methyl acetate 1698.51
    THF 6576.54
    2-butanone 2431.15
    n-pentanol 661.03
    sec-butanol 802.54
    n-hexane 1693.95
    ethylene glycol 22.92
    NMP 2135.23
    cyclohexane 5884.17
    DMSO 2124.09
    n-butyl acetate 5061.27
    n-octanol 730.49
    chloroform 4797.99
    n-propyl acetate 3227.75
    acetic acid 467.66
    dichloromethane 5004.71
    cyclohexanone 6168.6
    propylene glycol 70.43
    isopropyl acetate 2913.81
    DMAc 1623.81
    2-ethoxyethanol 780.42
    isopentanol 1163.48
    n-heptane 3367.47
    ethyl formate 1108.46
    1,2-dichloroethane 4271.54
    n-hexanol 1112.24
    2-methoxyethanol 910.31
    isobutyl acetate 2089.75
    tetrachloromethane 1744.91
    n-pentyl acetate 3234.75
    transcutol 4182.69
    n-heptanol 728.95
    ethylbenzene 916.29
    MIBK 2334.13
    2-propoxyethanol 1291.56
    tert-butanol 1232.9
    MTBE 2898.36
    2-butoxyethanol 1094.3
    propionic acid 613.06
    o-xylene 1019.38
    formic acid 36.3
    diethyl ether 3813.94
    m-xylene 937.21
    p-xylene 1246.16
    chlorobenzene 1663.68
    dimethyl carbonate 524.07
    n-octane 755.33
    formamide 98.16
    cyclopentanone 4849.34
    2-pentanone 3203.41
    anisole 1293.23
    cyclopentyl methyl ether 4722.0
    gamma-butyrolactone 3649.93
    1-methoxy-2-propanol 1035.01
    pyridine 2596.89
    3-pentanone 2715.96
    furfural 2020.89
    n-dodecane 229.97
    diethylene glycol 327.72
    diisopropyl ether 2005.77
    tert-amyl alcohol 1212.47
    acetylacetone 2905.76
    n-hexadecane 289.2
    acetophenone 1373.16
    methyl propionate 1857.42
    isopentyl acetate 4028.38
    trichloroethylene 5526.5
    n-nonanol 729.83
    cyclohexanol 2038.35
    benzyl alcohol 573.86
    2-ethylhexanol 1606.0
    isooctanol 816.25
    dipropyl ether 7176.79
    1,2-dichlorobenzene 1796.28
    ethyl lactate 635.48
    propylene carbonate 2140.33
    n-methylformamide 425.63
    2-pentanol 1063.51
    n-pentane 1172.25
    1-propoxy-2-propanol 2036.8
    1-methoxy-2-propyl acetate 2678.28
    2-(2-methoxypropoxy) propanol 780.16
    mesitylene 845.05
    ε-caprolactone 4147.39
    p-cymene 1110.27
    epichlorohydrin 3725.97
    1,1,1-trichloroethane 4858.69
    2-aminoethanol 97.41
    morpholine-4-carbaldehyde 1900.37
    sulfolane 4176.28
    2,2,4-trimethylpentane 469.71
    2-methyltetrahydrofuran 5355.21
    n-hexyl acetate 2791.1
    isooctane 400.69
    2-(2-butoxyethoxy)ethanol 1237.38
    sec-butyl acetate 2461.02
    tert-butyl acetate 3501.88
    decalin 1006.94
    glycerin 98.47
    diglyme 3490.57
    acrylic acid 347.29
    isopropyl myristate 1115.48
    n-butyric acid 1839.89
    acetyl acetate 1857.49
    di(2-ethylhexyl) phthalate 492.67
    ethyl propionate 2787.62
    nitromethane 1208.64
    1,2-diethoxyethane 4496.34
    benzonitrile 1047.69
    trioctyl phosphate 502.72
    1-bromopropane 3841.97
    gamma-valerolactone 4135.63
    n-decanol 505.56
    triethyl phosphate 1387.5
    4-methyl-2-pentanol 748.49
    propionitrile 1037.72
    vinylene carbonate 1518.14
    1,1,2-trichlorotrifluoroethane 1752.41
    DMS 1199.49
    cumene 671.3
    2-octanol 702.35
    2-hexanone 2637.85
    octyl acetate 1117.14
    limonene 2386.77
    1,2-dimethoxyethane 3224.92
    ethyl orthosilicate 1547.67
    tributyl phosphate 726.99
    diacetone alcohol 1835.2
    N,N-dimethylaniline 954.35
    acrylonitrile 748.3
    aniline 919.93
    1,3-propanediol 277.97
    bromobenzene 2249.63
    dibromomethane 3970.97
    1,1,2,2-tetrachloroethane 5446.07
    2-methyl-cyclohexyl acetate 2197.71
    tetrabutyl urea 995.16
    diisobutyl methanol 1480.13
    2-phenylethanol 685.28
    styrene 1065.84
    dioctyl adipate 1292.91
    dimethyl sulfate 833.17
    ethyl butyrate 5022.1
    methyl lactate 430.84
    butyl lactate 1312.19
    diethyl carbonate 2211.18
    propanediol butyl ether 611.7
    triethyl orthoformate 3397.91
    p-tert-butyltoluene 1049.94
    methyl 4-tert-butylbenzoate 1241.32
    morpholine 3573.81
    tert-butylamine 1142.37
    n-dodecanol 395.3
    dimethoxymethane 1686.42
    ethylene carbonate 1814.28
    cyrene 690.34
    2-ethoxyethyl acetate 2566.72
    2-ethylhexyl acetate 3694.06
    1,2,4-trichlorobenzene 1735.84
    4-methylpyridine 2414.29
    dibutyl ether 4189.13
    2,6-dimethyl-4-heptanol 1480.13
    DEF 3178.31
    dimethyl isosorbide 1808.93
    tetrachloroethylene 3553.84
    eugenol 767.5
    triacetin 1851.85
    span 80 895.88
    1,4-butanediol 112.51
    1,1-dichloroethane 3664.63
    2-methyl-1-pentanol 794.17
    methyl formate 389.83
    2-methyl-1-butanol 938.3
    n-decane 604.85
    butyronitrile 1571.21
    3,7-dimethyl-1-octanol 1005.03
    1-chlorooctane 1457.7
    1-chlorotetradecane 471.78
    n-nonane 727.78
    undecane 340.97
    tert-butylcyclohexane 763.79
    cyclooctane 1694.79
    cyclopentanol 1528.45
    tetrahydropyran 6985.58
    tert-amyl methyl ether 2312.82
    2,5,8-trioxanonane 1669.51
    1-hexene 2226.61
    2-isopropoxyethanol 787.62
    2,2,2-trifluoroethanol 172.6
    methyl butyrate 3627.35

    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