1-Eicosyne

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  • Identifiers

    CAS number
    765-27-5

    Molecular formula
    C20H38

    SMILES
    CCCCCCCCCCCCCCCCCCC#C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 64.28%
    Fatty 44.36%
    Oily 34.89%
    Fresh 30.18%
    Meaty 29.49%
    Citrus 25.7%
    Sweet 22.19%
    Green 21.74%
    Metallic 21.47%
    Clean 21.34%

     

    Flavor
    Alkane 32.36%
    Waxy 31.28%
    Bland 25.32%
    Slightly waxy 21.2%
    Mild 21.14%
    Delicate 21.08%
    Faint 20.72%
    Diterpene 19.06%
    Incense 19.01%
    Low 18.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    8.42 (weak base)

    Molecular weight
    278.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 155.73 ˚C est.

  • Synonyms

    • 1-EICOSYNE
    • 765-27-5
    • DTXSID70227303
    • RefChem:1055357
    • DTXCID30149794
    • icos-1-yne
    • MLS-0091932.0001
    • 1-Icosyne
    • cosyn
    • eicos-1-yne
    • 1-Icosyne #
    • cid_13001
    • SCHEMBL1274555
    • SCHEMBL1470569
    • SCHEMBL1611398
    • SCHEMBL3764647
    • CHEMBL1329983
    • BDBM46142
    • BUSHLWVWPAEVMX-UHFFFAOYSA-N
    • 765-27-5

  • Applications

    1-Eicosyne (CAS 765-27-5) is primarily used as an organic-synthesis building block to introduce terminal alkyne functionality into long-chain molecules. It serves as a precursor for alkyne-terminated polymers and oligomers used in specialty plastics, coatings, and adhesives, enabling post-polymerization modification and crosslinking. The presence of the terminal alkyne enables click-chemistry conjugations and surface-modification chemistries, supporting advanced coatings, self-assembled monolayers on metals, and functional additives. In industrial manufacturing, it is explored as a reactive component for lubricant formulations and as a starting material for the synthesis of specialty surfactants and other alkyne-containing materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.88
    methanol 50.61
    isopropanol 103.67
    water 0.01
    ethyl acetate 743.18
    n-propanol 129.6
    acetone 468.63
    n-butanol 177.81
    acetonitrile 144.54
    DMF 424.21
    toluene 332.12
    isobutanol 143.67
    1,4-dioxane 777.86
    methyl acetate 396.42
    THF 1886.64
    2-butanone 535.3
    n-pentanol 136.25
    sec-butanol 149.19
    n-hexane 278.39
    ethylene glycol 7.64
    NMP 857.05
    cyclohexane 1187.98
    DMSO 594.08
    n-butyl acetate 1127.53
    n-octanol 178.21
    chloroform 1596.22
    n-propyl acetate 754.39
    acetic acid 138.4
    dichloromethane 1564.44
    cyclohexanone 1559.53
    propylene glycol 20.46
    isopropyl acetate 698.01
    DMAc 534.06
    2-ethoxyethanol 202.17
    isopentanol 224.61
    n-heptane 653.82
    ethyl formate 282.93
    1,2-dichloroethane 1199.03
    n-hexanol 227.95
    2-methoxyethanol 228.53
    isobutyl acetate 544.72
    tetrachloromethane 532.11
    n-pentyl acetate 813.3
    transcutol 1110.39
    n-heptanol 175.84
    ethylbenzene 241.48
    MIBK 573.22
    2-propoxyethanol 338.6
    tert-butanol 218.9
    MTBE 488.45
    2-butoxyethanol 319.6
    propionic acid 179.29
    o-xylene 279.67
    formic acid 16.84
    diethyl ether 673.13
    m-xylene 240.94
    p-xylene 336.05
    chlorobenzene 501.25
    dimethyl carbonate 172.83
    n-octane 157.38
    formamide 42.15
    cyclopentanone 1619.6
    2-pentanone 691.7
    anisole 381.47
    cyclopentyl methyl ether 1269.4
    gamma-butyrolactone 1366.3
    1-methoxy-2-propanol 261.61
    pyridine 677.36
    3-pentanone 649.93
    furfural 769.26
    n-dodecane 52.77
    diethylene glycol 105.04
    diisopropyl ether 406.61
    tert-amyl alcohol 238.21
    acetylacetone 756.98
    n-hexadecane 67.26
    acetophenone 435.63
    methyl propionate 482.81
    isopentyl acetate 934.27
    trichloroethylene 1750.56
    n-nonanol 188.81
    cyclohexanol 452.28
    benzyl alcohol 172.15
    2-ethylhexanol 348.98
    isooctanol 197.52
    dipropyl ether 1505.42
    1,2-dichlorobenzene 591.9
    ethyl lactate 205.69
    propylene carbonate 787.13
    n-methylformamide 134.97
    2-pentanol 190.12
    n-pentane 199.39
    1-propoxy-2-propanol 519.85
    1-methoxy-2-propyl acetate 736.97
    2-(2-methoxypropoxy) propanol 265.53
    mesitylene 228.98
    ε-caprolactone 1147.25
    p-cymene 303.14
    epichlorohydrin 1215.32
    1,1,1-trichloroethane 1396.99
    2-aminoethanol 30.16
    morpholine-4-carbaldehyde 648.78
    sulfolane 1706.84
    2,2,4-trimethylpentane 103.33
    2-methyltetrahydrofuran 1342.71
    n-hexyl acetate 700.04
    isooctane 82.01
    2-(2-butoxyethoxy)ethanol 374.65
    sec-butyl acetate 598.55
    tert-butyl acetate 880.99
    decalin 237.62
    glycerin 35.81
    diglyme 1072.78
    acrylic acid 118.14
    isopropyl myristate 314.53
    n-butyric acid 452.35
    acetyl acetate 504.12
    di(2-ethylhexyl) phthalate 163.46
    ethyl propionate 694.37
    nitromethane 344.35
    1,2-diethoxyethane 1034.74
    benzonitrile 298.14
    trioctyl phosphate 159.58
    1-bromopropane 916.05
    gamma-valerolactone 1314.85
    n-decanol 129.51
    triethyl phosphate 468.96
    4-methyl-2-pentanol 150.37
    propionitrile 227.93
    vinylene carbonate 552.32
    1,1,2-trichlorotrifluoroethane 651.17
    DMS 400.0
    cumene 188.23
    2-octanol 162.34
    2-hexanone 615.53
    octyl acetate 317.2
    limonene 592.65
    1,2-dimethoxyethane 786.48
    ethyl orthosilicate 480.54
    tributyl phosphate 232.81
    diacetone alcohol 496.49
    N,N-dimethylaniline 293.92
    acrylonitrile 188.5
    aniline 239.84
    1,3-propanediol 72.18
    bromobenzene 666.36
    dibromomethane 1179.94
    1,1,2,2-tetrachloroethane 1766.31
    2-methyl-cyclohexyl acetate 680.03
    tetrabutyl urea 308.97
    diisobutyl methanol 337.39
    2-phenylethanol 211.11
    styrene 276.65
    dioctyl adipate 410.15
    dimethyl sulfate 335.29
    ethyl butyrate 1236.37
    methyl lactate 148.87
    butyl lactate 396.67
    diethyl carbonate 616.37
    propanediol butyl ether 190.03
    triethyl orthoformate 950.8
    p-tert-butyltoluene 281.36
    methyl 4-tert-butylbenzoate 437.84
    morpholine 851.84
    tert-butylamine 198.19
    n-dodecanol 99.18
    dimethoxymethane 438.72
    ethylene carbonate 600.77
    cyrene 296.23
    2-ethoxyethyl acetate 716.08
    2-ethylhexyl acetate 893.41
    1,2,4-trichlorobenzene 601.18
    4-methylpyridine 580.15
    dibutyl ether 890.32
    2,6-dimethyl-4-heptanol 337.39
    DEF 747.7
    dimethyl isosorbide 736.68
    tetrachloroethylene 1143.75
    eugenol 275.14
    triacetin 626.28
    span 80 287.55
    1,4-butanediol 32.44
    1,1-dichloroethane 941.11
    2-methyl-1-pentanol 161.64
    methyl formate 127.84
    2-methyl-1-butanol 189.63
    n-decane 135.93
    butyronitrile 315.74
    3,7-dimethyl-1-octanol 236.89
    1-chlorooctane 369.88
    1-chlorotetradecane 121.74
    n-nonane 157.07
    undecane 77.68
    tert-butylcyclohexane 175.48
    cyclooctane 366.68
    cyclopentanol 415.31
    tetrahydropyran 1483.73
    tert-amyl methyl ether 485.92
    2,5,8-trioxanonane 588.38
    1-hexene 392.08
    2-isopropoxyethanol 206.05
    2,2,2-trifluoroethanol 74.9
    methyl butyrate 865.35

    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