1-Tridecene-3,5,7,9,11-pentayne

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  • Identifiers

    CAS number
    2060-59-5

    Molecular formula
    C13H6

    SMILES
    CC#CC#CC#CC#CC#CC=C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.76%
    Spicy 29.67%
    Pungent 22.88%
    Floral 22.46%
    Metallic 19.47%
    Warm 18.29%
    Nutty 17.98%
    Powdery 16.54%
    Cinnamon 15.88%
    Anisic 15.84%

     

    Flavor
    Bitter 78.17%
    Odorless 21.18%
    Nitrile 17.13%
    Bland 15.56%
    Oriental 15.04%
    Rotten 14.99%
    Very strong 14.67%
    Cedarleaf 14.37%
    Taco 14.3%
    Formyl 14.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    1.87 (strong acid)

    Molecular weight
    162.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    308°C

    Flash point

    • 155.93 ˚C est.

  • Synonyms

    • 1-Tridecene-3,5,7,9,11-pentayne
    • Tridec-1-ene-3,5,7,9,11-pentayne
    • 2060-59-5
    • UNII-0W1JQG9623
    • 0W1JQG9623
    • 1-Tridecen-3,5,7,9,11-pentayne
    • PENTAYNEENE
    • VINYLPENTAACETYLENE
    • 1-Tridecene-3,5,7,9,11-pentyne
    • CHEBI:9699
    • DTXSID40174613
    • TRIDECAPENTA-3,5,7,9,11-YN-1-ENE
    • RefChem:25811
    • DTXCID6097104
    • tridec-1-en-3,5,7,9,11-pentayne
    • tridecen-pentain
    • C08464
    • SCHEMBL9489550
    • KKBHBCOJHHCOCL-UHFFFAOYSA-N
    • LMFA11000712
    • Trideca-1-en-3,5,7,9,11-pentayne
    • Q27108474
    • 2060-59-5

  • Applications

    1-Tridecene-3,5,7,9,11-pentayne (CAS 2060-59-5) is typically considered a multifunctional building block in organic synthesis and polymer chemistry; it may serve as a polymerizable or crosslinkable monomer for specialty polymers and functional materials with potential electronic or optical properties, leveraging its alkyne functionality for post-polymerization modification; it is also evaluated as a precursor for advanced materials and for surface modification and crosslinking in coatings, inks, and adhesives via click-type chemistry; in research and development, it is used as a reagent in materials science and organic synthesis, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.29
    methanol 35.27
    isopropanol 25.79
    water 0.0
    ethyl acetate 383.0
    n-propanol 42.36
    acetone 367.88
    n-butanol 43.71
    acetonitrile 131.88
    DMF 829.33
    toluene 411.04
    isobutanol 29.51
    1,4-dioxane 567.6
    methyl acetate 309.75
    THF 941.41
    2-butanone 369.63
    n-pentanol 43.63
    sec-butanol 37.23
    n-hexane 46.86
    ethylene glycol 9.98
    NMP 1031.31
    cyclohexane 64.92
    DMSO 498.27
    n-butyl acetate 366.82
    n-octanol 34.02
    chloroform 729.84
    n-propyl acetate 239.65
    acetic acid 61.01
    dichloromethane 1070.67
    cyclohexanone 606.04
    propylene glycol 17.2
    isopropyl acetate 233.3
    DMAc 706.43
    2-ethoxyethanol 109.5
    isopentanol 42.87
    n-heptane 35.39
    ethyl formate 106.11
    1,2-dichloroethane 969.12
    n-hexanol 64.19
    2-methoxyethanol 174.66
    isobutyl acetate 163.3
    tetrachloromethane 62.51
    n-pentyl acetate 148.39
    transcutol 732.26
    n-heptanol 27.49
    ethylbenzene 211.09
    MIBK 207.23
    2-propoxyethanol 176.36
    tert-butanol 44.31
    MTBE 180.33
    2-butoxyethanol 74.24
    propionic acid 59.5
    o-xylene 181.14
    formic acid 12.21
    diethyl ether 258.29
    m-xylene 211.9
    p-xylene 204.67
    chlorobenzene 455.36
    dimethyl carbonate 216.52
    n-octane 16.55
    formamide 46.4
    cyclopentanone 898.94
    2-pentanone 331.26
    anisole 527.03
    cyclopentyl methyl ether 544.71
    gamma-butyrolactone 731.79
    1-methoxy-2-propanol 135.83
    pyridine 810.45
    3-pentanone 348.77
    furfural 695.46
    n-dodecane 11.71
    diethylene glycol 89.32
    diisopropyl ether 104.81
    tert-amyl alcohol 56.7
    acetylacetone 607.31
    n-hexadecane 14.74
    acetophenone 385.15
    methyl propionate 388.09
    isopentyl acetate 300.56
    trichloroethylene 1862.44
    n-nonanol 36.65
    cyclohexanol 70.02
    benzyl alcohol 137.96
    2-ethylhexanol 75.72
    isooctanol 29.54
    dipropyl ether 243.2
    1,2-dichlorobenzene 435.44
    ethyl lactate 75.54
    propylene carbonate 312.79
    n-methylformamide 159.41
    2-pentanol 38.67
    n-pentane 22.13
    1-propoxy-2-propanol 145.16
    1-methoxy-2-propyl acetate 415.38
    2-(2-methoxypropoxy) propanol 179.88
    mesitylene 126.45
    ε-caprolactone 424.82
    p-cymene 97.49
    epichlorohydrin 1139.47
    1,1,1-trichloroethane 531.56
    2-aminoethanol 22.32
    morpholine-4-carbaldehyde 763.55
    sulfolane 1002.03
    2,2,4-trimethylpentane 17.98
    2-methyltetrahydrofuran 628.34
    n-hexyl acetate 208.94
    isooctane 16.91
    2-(2-butoxyethoxy)ethanol 188.97
    sec-butyl acetate 194.16
    tert-butyl acetate 338.08
    decalin 59.73
    glycerin 30.39
    diglyme 578.55
    acrylic acid 63.46
    isopropyl myristate 109.82
    n-butyric acid 94.62
    acetyl acetate 271.68
    di(2-ethylhexyl) phthalate 81.1
    ethyl propionate 280.64
    nitromethane 347.98
    1,2-diethoxyethane 479.16
    benzonitrile 234.86
    trioctyl phosphate 47.34
    1-bromopropane 358.58
    gamma-valerolactone 869.12
    n-decanol 30.19
    triethyl phosphate 143.88
    4-methyl-2-pentanol 30.01
    propionitrile 109.33
    vinylene carbonate 275.26
    1,1,2-trichlorotrifluoroethane 469.84
    DMS 390.41
    cumene 112.57
    2-octanol 25.33
    2-hexanone 255.99
    octyl acetate 114.71
    limonene 152.82
    1,2-dimethoxyethane 469.21
    ethyl orthosilicate 133.54
    tributyl phosphate 82.17
    diacetone alcohol 207.74
    N,N-dimethylaniline 307.97
    acrylonitrile 192.78
    aniline 213.78
    1,3-propanediol 37.12
    bromobenzene 697.61
    dibromomethane 584.62
    1,1,2,2-tetrachloroethane 1172.08
    2-methyl-cyclohexyl acetate 219.77
    tetrabutyl urea 133.21
    diisobutyl methanol 58.87
    2-phenylethanol 153.96
    styrene 322.22
    dioctyl adipate 185.11
    dimethyl sulfate 441.35
    ethyl butyrate 292.44
    methyl lactate 102.99
    butyl lactate 81.58
    diethyl carbonate 199.4
    propanediol butyl ether 60.94
    triethyl orthoformate 204.77
    p-tert-butyltoluene 100.47
    methyl 4-tert-butylbenzoate 211.81
    morpholine 563.92
    tert-butylamine 32.96
    n-dodecanol 26.44
    dimethoxymethane 489.85
    ethylene carbonate 191.17
    cyrene 167.41
    2-ethoxyethyl acetate 284.0
    2-ethylhexyl acetate 288.18
    1,2,4-trichlorobenzene 551.28
    4-methylpyridine 654.48
    dibutyl ether 200.45
    2,6-dimethyl-4-heptanol 58.87
    DEF 553.29
    dimethyl isosorbide 508.92
    tetrachloroethylene 574.81
    eugenol 189.64
    triacetin 262.2
    span 80 119.86
    1,4-butanediol 15.49
    1,1-dichloroethane 455.18
    2-methyl-1-pentanol 52.35
    methyl formate 132.56
    2-methyl-1-butanol 43.91
    n-decane 18.66
    butyronitrile 111.53
    3,7-dimethyl-1-octanol 58.14
    1-chlorooctane 81.39
    1-chlorotetradecane 39.13
    n-nonane 18.98
    undecane 14.16
    tert-butylcyclohexane 50.03
    cyclooctane 35.94
    cyclopentanol 82.57
    tetrahydropyran 499.24
    tert-amyl methyl ether 193.21
    2,5,8-trioxanonane 420.16
    1-hexene 128.97
    2-isopropoxyethanol 89.16
    2,2,2-trifluoroethanol 22.94
    methyl butyrate 311.56

    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