3-Eicosyne

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  • Identifiers

    CAS number
    61886-66-6

    Molecular formula
    C20H38

    SMILES
    CCCCCCCCCCCCCCCCC#CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.03%
    Fatty 40.07%
    Oily 34.96%
    Meaty 25.29%
    Fresh 24.32%
    Gassy 22.12%
    Green 21.6%
    Sweet 21.29%
    Citrus 20.32%
    Fishy 20.01%

     

    Flavor
    Alkane 30.2%
    Waxy 27.57%
    Bland 26.08%
    Delicate 20.84%
    Slightly waxy 20.54%
    Faint 20.26%
    Mild 19.48%
    Oriental 19.0%
    Diterpene 18.96%
    Low 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    7.64 (neutral)

    Molecular weight
    278.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 161.08 ˚C est.

  • Synonyms

    • 3-Eicosyne
    • 61886-66-6
    • RefChem:93740
    • AQBXRWJMJJJCLI-UHFFFAOYSA-N
    • icos-3-yne
    • 3-Icosyne
    • 3-Icosyne #
    • SCHEMBL161365
    • SCHEMBL5984802
    • CHEBI:231234
    • DTXSID101318469
    • MFCD32206138
    • AKOS037645017
    • AS-56154
    • G89994
    • Q67879590
    • 61886-66-6

  • Applications

    3-Eicosyne (CAS 61886-66-6) is a long-chain, internal alkyne hydrocarbon. In industry, it is viewed as an intermediate chemical for the synthesis of specialty compounds and may be used as a non-polar solvent/diluent in coatings, inks, and industrial cleansing formulations; it serves as a building block for polymers or specialty materials in research and production; it can be used as an additive component in lubricant formulations; and it is considered a basis for applications in materials science and surface treatments, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.36
    methanol 139.64
    isopropanol 364.83
    water 0.01
    ethyl acetate 2431.62
    n-propanol 397.41
    acetone 1611.93
    n-butanol 589.26
    acetonitrile 484.97
    DMF 1113.79
    toluene 1072.59
    isobutanol 454.67
    1,4-dioxane 2457.73
    methyl acetate 1219.58
    THF 4970.94
    2-butanone 1703.34
    n-pentanol 424.18
    sec-butanol 504.79
    n-hexane 1201.09
    ethylene glycol 15.55
    NMP 1893.63
    cyclohexane 4418.76
    DMSO 1498.69
    n-butyl acetate 3755.83
    n-octanol 515.81
    chloroform 3874.67
    n-propyl acetate 2380.54
    acetic acid 323.58
    dichloromethane 4012.04
    cyclohexanone 4641.44
    propylene glycol 45.71
    isopropyl acetate 2204.14
    DMAc 1320.48
    2-ethoxyethanol 527.48
    isopentanol 764.35
    n-heptane 2561.42
    ethyl formate 805.48
    1,2-dichloroethane 3314.17
    n-hexanol 732.37
    2-methoxyethanol 590.23
    isobutyl acetate 1615.86
    tetrachloromethane 1455.54
    n-pentyl acetate 2482.4
    transcutol 2938.35
    n-heptanol 517.52
    ethylbenzene 735.82
    MIBK 1793.93
    2-propoxyethanol 896.86
    tert-butanol 794.78
    MTBE 1986.32
    2-butoxyethanol 797.04
    propionic acid 446.06
    o-xylene 834.02
    formic acid 27.19
    diethyl ether 2593.67
    m-xylene 760.21
    p-xylene 1014.13
    chlorobenzene 1354.28
    dimethyl carbonate 425.48
    n-octane 577.0
    formamide 71.0
    cyclopentanone 3918.26
    2-pentanone 2291.36
    anisole 1044.2
    cyclopentyl methyl ether 3711.34
    gamma-butyrolactone 3029.73
    1-methoxy-2-propanol 709.69
    pyridine 1919.85
    3-pentanone 2026.12
    furfural 1661.74
    n-dodecane 180.07
    diethylene glycol 229.77
    diisopropyl ether 1472.5
    tert-amyl alcohol 822.5
    acetylacetone 2191.18
    n-hexadecane 228.57
    acetophenone 1122.81
    methyl propionate 1391.3
    isopentyl acetate 3028.82
    trichloroethylene 4373.25
    n-nonanol 537.06
    cyclohexanol 1467.53
    benzyl alcohol 442.71
    2-ethylhexanol 1169.44
    isooctanol 593.38
    dipropyl ether 5356.89
    1,2-dichlorobenzene 1520.72
    ethyl lactate 495.52
    propylene carbonate 1782.32
    n-methylformamide 312.87
    2-pentanol 690.6
    n-pentane 824.77
    1-propoxy-2-propanol 1460.97
    1-methoxy-2-propyl acetate 2115.56
    2-(2-methoxypropoxy) propanol 619.56
    mesitylene 696.2
    ε-caprolactone 3226.53
    p-cymene 922.19
    epichlorohydrin 2896.0
    1,1,1-trichloroethane 3968.19
    2-aminoethanol 64.93
    morpholine-4-carbaldehyde 1527.88
    sulfolane 3579.94
    2,2,4-trimethylpentane 368.58
    2-methyltetrahydrofuran 4062.69
    n-hexyl acetate 2120.34
    isooctane 304.63
    2-(2-butoxyethoxy)ethanol 929.17
    sec-butyl acetate 1857.27
    tert-butyl acetate 2729.23
    decalin 814.42
    glycerin 68.59
    diglyme 2694.88
    acrylic acid 261.51
    isopropyl myristate 918.73
    n-butyric acid 1287.68
    acetyl acetate 1434.5
    di(2-ethylhexyl) phthalate 405.64
    ethyl propionate 2127.1
    nitromethane 852.73
    1,2-diethoxyethane 3287.23
    benzonitrile 815.95
    trioctyl phosphate 410.73
    1-bromopropane 2880.14
    gamma-valerolactone 3208.64
    n-decanol 380.49
    triethyl phosphate 1182.21
    4-methyl-2-pentanol 521.25
    propionitrile 726.24
    vinylene carbonate 1256.23
    1,1,2-trichlorotrifluoroethane 1392.72
    DMS 1000.1
    cumene 552.41
    2-octanol 509.63
    2-hexanone 1897.77
    octyl acetate 894.76
    limonene 1933.89
    1,2-dimethoxyethane 2352.71
    ethyl orthosilicate 1290.0
    tributyl phosphate 595.38
    diacetone alcohol 1387.82
    N,N-dimethylaniline 790.24
    acrylonitrile 535.39
    aniline 706.97
    1,3-propanediol 178.06
    bromobenzene 1844.5
    dibromomethane 3154.76
    1,1,2,2-tetrachloroethane 4389.81
    2-methyl-cyclohexyl acetate 1820.32
    tetrabutyl urea 815.23
    diisobutyl methanol 1124.05
    2-phenylethanol 527.22
    styrene 848.9
    dioctyl adipate 1072.71
    dimethyl sulfate 720.46
    ethyl butyrate 3854.63
    methyl lactate 339.98
    butyl lactate 1009.39
    diethyl carbonate 1758.54
    propanediol butyl ether 441.35
    triethyl orthoformate 2703.63
    p-tert-butyltoluene 868.75
    methyl 4-tert-butylbenzoate 1051.83
    morpholine 2568.47
    tert-butylamine 763.18
    n-dodecanol 299.09
    dimethoxymethane 1267.59
    ethylene carbonate 1473.37
    cyrene 594.23
    2-ethoxyethyl acetate 1998.12
    2-ethylhexyl acetate 2860.13
    1,2,4-trichlorobenzene 1473.0
    4-methylpyridine 1782.73
    dibutyl ether 3087.4
    2,6-dimethyl-4-heptanol 1124.05
    DEF 2428.37
    dimethyl isosorbide 1572.1
    tetrachloroethylene 2891.82
    eugenol 635.38
    triacetin 1519.5
    span 80 707.12
    1,4-butanediol 76.53
    1,1-dichloroethane 2802.13
    2-methyl-1-pentanol 534.53
    methyl formate 297.33
    2-methyl-1-butanol 635.29
    n-decane 469.58
    butyronitrile 1085.33
    3,7-dimethyl-1-octanol 734.05
    1-chlorooctane 1152.75
    1-chlorotetradecane 379.48
    n-nonane 555.95
    undecane 266.51
    tert-butylcyclohexane 617.73
    cyclooctane 1334.75
    cyclopentanol 1136.57
    tetrahydropyran 4935.86
    tert-amyl methyl ether 1732.73
    2,5,8-trioxanonane 1338.87
    1-hexene 1521.24
    2-isopropoxyethanol 559.08
    2,2,2-trifluoroethanol 136.98
    methyl butyrate 2682.36

    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