1,3-Tridecadiene-5,7,9,11-tetrayne, (Z)-

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  • Identifiers

    CAS number
    124604-45-1

    Molecular formula
    C13H8

    SMILES
    CC#CC#CC#CC#C/C=C\C=C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.12%
    Spicy 44.39%
    Floral 33.0%
    Cinnamon 27.06%
    Green 26.35%
    Metallic 23.7%
    Pungent 23.54%
    Warm 22.09%
    Anisic 19.58%
    Powdery 17.9%

     

    Flavor
    Bitter 69.57%
    Odorless 20.13%
    Nitrile 19.16%
    Oriental 17.22%
    Rotten 15.87%
    Very strong 15.45%
    Formyl 15.15%
    Taco 15.14%
    Cedarleaf 15.12%
    Indole 14.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    2.85 (strong acid)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    294°C

    Flash point

    • 143.29 ˚C est.

  • Synonyms

    • 1,3-Tridecadiene-5,7,9,11-tetrayne, (Z)-
    • 124604-45-1
    • RefChem:219781
    • (Z)-1,3-Tridecadiene-5,7,9,11-tetrayne
    • PXQLZFYDZKYLPY-ALCCZGGFSA-N
    • DTXSID101273978
    • (3Z)-Trideca-1,3-diene-5,7,9,11-tetrayne
    • 124604-45-1

  • Applications

    Chemical name: 1,3-Tridecadiene-5,7,9,11-tetrayne, (Z)-; CAS number: 124604-45-1. It is primarily used as an organic synthesis intermediate to access polyynes and conjugated systems, serving as a building block for advanced materials in organic electronics and photonics. It may be used in UV-curable coatings or crosslinkable polymer networks as a functional moiety to enable tailored properties, increasing rigidity and stability. In R&D environments, it supports the construction of molecular wires and other nanoscale conductive materials. As a specialty precursor in materials science and polymer chemistry, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.47
    methanol 84.32
    isopropanol 68.6
    water 0.01
    ethyl acetate 805.16
    n-propanol 103.93
    acetone 683.8
    n-butanol 103.09
    acetonitrile 276.74
    DMF 997.4
    toluene 628.53
    isobutanol 72.57
    1,4-dioxane 845.13
    methyl acetate 544.19
    THF 1419.04
    2-butanone 683.33
    n-pentanol 100.47
    sec-butanol 94.45
    n-hexane 96.81
    ethylene glycol 25.24
    NMP 959.31
    cyclohexane 128.35
    DMSO 978.3
    n-butyl acetate 569.89
    n-octanol 59.77
    chloroform 1189.88
    n-propyl acetate 390.14
    acetic acid 124.61
    dichloromethane 1560.23
    cyclohexanone 849.6
    propylene glycol 51.97
    isopropyl acetate 404.54
    DMAc 901.4
    2-ethoxyethanol 215.85
    isopentanol 98.0
    n-heptane 59.94
    ethyl formate 170.59
    1,2-dichloroethane 1448.03
    n-hexanol 135.49
    2-methoxyethanol 343.22
    isobutyl acetate 249.01
    tetrachloromethane 100.98
    n-pentyl acetate 199.91
    transcutol 1413.36
    n-heptanol 47.42
    ethylbenzene 278.84
    MIBK 326.45
    2-propoxyethanol 322.79
    tert-butanol 101.13
    MTBE 333.27
    2-butoxyethanol 123.9
    propionic acid 118.93
    o-xylene 230.48
    formic acid 25.22
    diethyl ether 569.71
    m-xylene 293.66
    p-xylene 262.24
    chlorobenzene 583.63
    dimethyl carbonate 281.84
    n-octane 22.34
    formamide 78.88
    cyclopentanone 1133.76
    2-pentanone 595.48
    anisole 619.55
    cyclopentyl methyl ether 760.48
    gamma-butyrolactone 852.33
    1-methoxy-2-propanol 273.25
    pyridine 1134.33
    3-pentanone 586.05
    furfural 751.03
    n-dodecane 16.14
    diethylene glycol 170.91
    diisopropyl ether 180.79
    tert-amyl alcohol 123.57
    acetylacetone 876.24
    n-hexadecane 20.04
    acetophenone 477.55
    methyl propionate 651.13
    isopentyl acetate 437.51
    trichloroethylene 2561.24
    n-nonanol 61.09
    cyclohexanol 150.46
    benzyl alcohol 206.72
    2-ethylhexanol 130.41
    isooctanol 49.8
    dipropyl ether 380.26
    1,2-dichlorobenzene 515.97
    ethyl lactate 125.57
    propylene carbonate 396.69
    n-methylformamide 222.15
    2-pentanol 91.96
    n-pentane 49.42
    1-propoxy-2-propanol 273.63
    1-methoxy-2-propyl acetate 587.47
    2-(2-methoxypropoxy) propanol 265.96
    mesitylene 161.81
    ε-caprolactone 577.86
    p-cymene 114.88
    epichlorohydrin 1476.76
    1,1,1-trichloroethane 793.82
    2-aminoethanol 55.31
    morpholine-4-carbaldehyde 797.15
    sulfolane 1186.55
    2,2,4-trimethylpentane 30.34
    2-methyltetrahydrofuran 950.62
    n-hexyl acetate 294.09
    isooctane 29.08
    2-(2-butoxyethoxy)ethanol 309.74
    sec-butyl acetate 294.9
    tert-butyl acetate 488.36
    decalin 85.39
    glycerin 73.28
    diglyme 801.26
    acrylic acid 115.16
    isopropyl myristate 142.67
    n-butyric acid 184.89
    acetyl acetate 427.69
    di(2-ethylhexyl) phthalate 103.63
    ethyl propionate 430.95
    nitromethane 536.92
    1,2-diethoxyethane 720.84
    benzonitrile 309.9
    trioctyl phosphate 63.21
    1-bromopropane 645.35
    gamma-valerolactone 1054.2
    n-decanol 48.55
    triethyl phosphate 177.55
    4-methyl-2-pentanol 65.1
    propionitrile 205.55
    vinylene carbonate 322.12
    1,1,2-trichlorotrifluoroethane 670.83
    DMS 497.26
    cumene 138.58
    2-octanol 40.25
    2-hexanone 443.2
    octyl acetate 150.15
    limonene 194.43
    1,2-dimethoxyethane 672.08
    ethyl orthosilicate 170.78
    tributyl phosphate 108.08
    diacetone alcohol 335.96
    N,N-dimethylaniline 353.86
    acrylonitrile 312.33
    aniline 334.86
    1,3-propanediol 80.89
    bromobenzene 863.19
    dibromomethane 966.12
    1,1,2,2-tetrachloroethane 1729.72
    2-methyl-cyclohexyl acetate 273.48
    tetrabutyl urea 168.94
    diisobutyl methanol 92.65
    2-phenylethanol 218.37
    styrene 437.29
    dioctyl adipate 225.64
    dimethyl sulfate 508.91
    ethyl butyrate 406.45
    methyl lactate 168.24
    butyl lactate 125.24
    diethyl carbonate 261.69
    propanediol butyl ether 115.73
    triethyl orthoformate 287.55
    p-tert-butyltoluene 118.94
    methyl 4-tert-butylbenzoate 238.17
    morpholine 902.23
    tert-butylamine 72.27
    n-dodecanol 43.23
    dimethoxymethane 706.6
    ethylene carbonate 249.71
    cyrene 220.52
    2-ethoxyethyl acetate 399.16
    2-ethylhexyl acetate 387.71
    1,2,4-trichlorobenzene 648.55
    4-methylpyridine 877.91
    dibutyl ether 293.78
    2,6-dimethyl-4-heptanol 92.65
    DEF 749.53
    dimethyl isosorbide 618.94
    tetrachloroethylene 834.62
    eugenol 230.04
    triacetin 356.38
    span 80 192.71
    1,4-butanediol 35.41
    1,1-dichloroethane 791.01
    2-methyl-1-pentanol 114.2
    methyl formate 180.93
    2-methyl-1-butanol 102.36
    n-decane 26.41
    butyronitrile 207.18
    3,7-dimethyl-1-octanol 100.73
    1-chlorooctane 113.93
    1-chlorotetradecane 51.61
    n-nonane 27.09
    undecane 19.89
    tert-butylcyclohexane 71.1
    cyclooctane 60.29
    cyclopentanol 152.62
    tetrahydropyran 876.16
    tert-amyl methyl ether 313.92
    2,5,8-trioxanonane 560.37
    1-hexene 267.53
    2-isopropoxyethanol 159.71
    2,2,2-trifluoroethanol 37.4
    methyl butyrate 463.49

    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