(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne

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  • Identifiers

    CAS number
    41688-30-6

    Molecular formula
    C17H18

    SMILES
    CC#CC#CC#C/C=C/C=C/CCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.32%
    Floral 44.78%
    Green 38.32%
    Citrus 36.51%
    Spicy 36.01%
    Fresh 33.58%
    Metallic 29.7%
    Waxy 28.74%
    Fruity 27.29%
    Aldehydic 27.1%

     

    Flavor
    Bitter 39.28%
    Nitrile 20.37%
    Oriental 20.28%
    Low 17.18%
    Diterpene 17.03%
    Rotten 16.94%
    Cedarleaf 16.54%
    Terpentine 16.53%
    Opoponax 16.49%
    Mouldy 16.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    4.15 (weak acid)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    123°C

    Melting point expt.

    • 17.5 °C

    Flash point

    • 160.43 ˚C est.

  • Synonyms

    • (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
    • (7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne
    • (7E,9E)-1,7,9-Heptadecatriene-11,13,15-triyne
    • CHEBI:230139
    • DTXSID601253664
    • 41688-30-6
    • (7E,9E)-Heptadeca-1,7,9-triene-11,13,15-triyne
    • 41688-30-6

  • Applications

    (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne (CAS 41688-30-6) is primarily used as a reactive building block in organic synthesis and as a precursor for specialty polymers. In industry, it may be employed as a monomer or crosslinking component in high-performance coatings and adhesives to enhance thermal and mechanical properties. It is also explored as a building block for conjugated systems in advanced materials aimed at electronics and optoelectronics. Additionally, it may serve in research and development contexts as a precursor for novel polymer architectures and advanced plastics. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 553.47
    methanol 426.45
    isopropanol 393.41
    water 0.01
    ethyl acetate 2175.02
    n-propanol 490.64
    acetone 2124.07
    n-butanol 482.39
    acetonitrile 630.24
    DMF 1247.22
    toluene 1010.27
    isobutanol 343.74
    1,4-dioxane 1912.26
    methyl acetate 1249.07
    THF 3535.18
    2-butanone 1717.22
    n-pentanol 396.28
    sec-butanol 434.48
    n-hexane 383.71
    ethylene glycol 47.5
    NMP 1027.3
    cyclohexane 701.28
    DMSO 2390.2
    n-butyl acetate 1415.2
    n-octanol 160.44
    chloroform 2515.56
    n-propyl acetate 1038.94
    acetic acid 381.53
    dichloromethane 3364.68
    cyclohexanone 2113.25
    propylene glycol 114.3
    isopropyl acetate 1027.29
    DMAc 1118.46
    2-ethoxyethanol 557.09
    isopentanol 406.49
    n-heptane 254.44
    ethyl formate 464.18
    1,2-dichloroethane 2995.03
    n-hexanol 542.69
    2-methoxyethanol 824.13
    isobutyl acetate 592.41
    tetrachloromethane 401.59
    n-pentyl acetate 527.88
    transcutol 2868.81
    n-heptanol 160.37
    ethylbenzene 391.76
    MIBK 823.29
    2-propoxyethanol 825.5
    tert-butanol 479.61
    MTBE 1101.15
    2-butoxyethanol 312.35
    propionic acid 349.01
    o-xylene 372.02
    formic acid 56.3
    diethyl ether 2352.68
    m-xylene 495.17
    p-xylene 394.92
    chlorobenzene 904.83
    dimethyl carbonate 386.09
    n-octane 65.24
    formamide 137.74
    cyclopentanone 2228.26
    2-pentanone 1723.98
    anisole 688.44
    cyclopentyl methyl ether 1839.22
    gamma-butyrolactone 1530.42
    1-methoxy-2-propanol 703.86
    pyridine 1677.72
    3-pentanone 1375.62
    furfural 1000.75
    n-dodecane 34.93
    diethylene glycol 338.11
    diisopropyl ether 591.26
    tert-amyl alcohol 457.04
    acetylacetone 1675.82
    n-hexadecane 41.87
    acetophenone 577.84
    methyl propionate 1338.74
    isopentyl acetate 1003.1
    trichloroethylene 3927.38
    n-nonanol 160.99
    cyclohexanol 626.99
    benzyl alcohol 346.02
    2-ethylhexanol 425.51
    isooctanol 151.14
    dipropyl ether 1252.79
    1,2-dichlorobenzene 726.9
    ethyl lactate 244.85
    propylene carbonate 726.18
    n-methylformamide 385.69
    2-pentanol 430.74
    n-pentane 285.41
    1-propoxy-2-propanol 729.59
    1-methoxy-2-propyl acetate 1032.76
    2-(2-methoxypropoxy) propanol 410.02
    mesitylene 289.68
    ε-caprolactone 1260.43
    p-cymene 210.22
    epichlorohydrin 2599.25
    1,1,1-trichloroethane 1774.07
    2-aminoethanol 136.98
    morpholine-4-carbaldehyde 966.55
    sulfolane 1875.67
    2,2,4-trimethylpentane 86.58
    2-methyltetrahydrofuran 2353.97
    n-hexyl acetate 609.08
    isooctane 84.21
    2-(2-butoxyethoxy)ethanol 545.91
    sec-butyl acetate 654.43
    tert-butyl acetate 1060.53
    decalin 175.49
    glycerin 133.96
    diglyme 1251.27
    acrylic acid 239.92
    isopropyl myristate 249.47
    n-butyric acid 667.54
    acetyl acetate 906.97
    di(2-ethylhexyl) phthalate 165.12
    ethyl propionate 891.51
    nitromethane 1005.23
    1,2-diethoxyethane 1765.18
    benzonitrile 473.07
    trioctyl phosphate 128.96
    1-bromopropane 2005.69
    gamma-valerolactone 1728.93
    n-decanol 122.27
    triethyl phosphate 304.12
    4-methyl-2-pentanol 228.32
    propionitrile 541.71
    vinylene carbonate 545.19
    1,1,2-trichlorotrifluoroethane 1012.58
    DMS 616.09
    cumene 211.28
    2-octanol 122.33
    2-hexanone 1041.3
    octyl acetate 267.73
    limonene 406.4
    1,2-dimethoxyethane 1330.61
    ethyl orthosilicate 318.06
    tributyl phosphate 196.37
    diacetone alcohol 719.53
    N,N-dimethylaniline 390.7
    acrylonitrile 547.53
    aniline 597.43
    1,3-propanediol 243.32
    bromobenzene 1218.2
    dibromomethane 2385.04
    1,1,2,2-tetrachloroethane 3007.98
    2-methyl-cyclohexyl acetate 512.64
    tetrabutyl urea 263.5
    diisobutyl methanol 272.7
    2-phenylethanol 386.85
    styrene 587.73
    dioctyl adipate 347.31
    dimethyl sulfate 583.1
    ethyl butyrate 960.54
    methyl lactate 263.36
    butyl lactate 289.27
    diethyl carbonate 496.77
    propanediol butyl ether 257.91
    triethyl orthoformate 591.92
    p-tert-butyltoluene 201.13
    methyl 4-tert-butylbenzoate 334.78
    morpholine 2174.34
    tert-butylamine 346.61
    n-dodecanol 101.23
    dimethoxymethane 1412.82
    ethylene carbonate 509.18
    cyrene 331.63
    2-ethoxyethyl acetate 809.22
    2-ethylhexyl acetate 813.36
    1,2,4-trichlorobenzene 807.68
    4-methylpyridine 1409.91
    dibutyl ether 722.58
    2,6-dimethyl-4-heptanol 272.7
    DEF 1440.56
    dimethyl isosorbide 795.57
    tetrachloroethylene 1742.97
    eugenol 298.18
    triacetin 545.95
    span 80 344.27
    1,4-butanediol 99.4
    1,1-dichloroethane 2019.37
    2-methyl-1-pentanol 361.33
    methyl formate 321.86
    2-methyl-1-butanol 406.02
    n-decane 67.68
    butyronitrile 653.16
    3,7-dimethyl-1-octanol 231.81
    1-chlorooctane 260.66
    1-chlorotetradecane 97.53
    n-nonane 76.04
    undecane 45.43
    tert-butylcyclohexane 141.37
    cyclooctane 220.81
    cyclopentanol 489.25
    tetrahydropyran 3054.92
    tert-amyl methyl ether 815.83
    2,5,8-trioxanonane 771.24
    1-hexene 974.06
    2-isopropoxyethanol 424.76
    2,2,2-trifluoroethanol 88.59
    methyl butyrate 999.55

    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