1,9-Heptadecadiene-4,6-diyne-3,8-dione, (Z)-

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  • Identifiers

    CAS number
    65892-84-4

    Molecular formula
    C17H20O2

    SMILES
    CCCCCCC/C=C\C(=O)C#CC#CC(=O)C=C

    Safety labels

  • Odor profile

    Fragrance
    Green 39.75%
    Sweet 38.96%
    Spicy 37.15%
    Metallic 36.33%
    Citrus 33.86%
    Fatty 30.76%
    Herbal 29.74%
    Meaty 29.17%
    Floral 28.36%
    Fresh 28.24%

     

    Flavor
    Bitter 71.76%
    Odorless 27.79%
    Nitrile 20.42%
    Bland 20.36%
    Oriental 18.93%
    Lovage 18.68%
    Cedarleaf 18.63%
    Taco 18.43%
    Bread crust 18.11%
    Broom 18.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    5.7 (weak acid)

    Molecular weight
    256.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 181.72 ˚C est.

  • Synonyms

    • 1,9-Heptadecadiene-4,6-diyne-3,8-dione, (Z)-
    • 65892-84-4
    • RefChem:73798
    • DTXSID801255692
    • (9Z)-Heptadeca-1,9-diene-4,6-diyne-3,8-dione
    • 65892-84-4

  • Applications

    Viewed as an advanced organic synthesis intermediate, 1,9-Heptadecadiene-4,6-diyne-3,8-dione, (Z)- may be used as a building block for specialty polymers and crosslinked materials; it can serve as a reactive monomer or crosslinking component in coatings and inks; it may be employed in adhesive formulations to enhance network formation; and it is of interest in electronics-related materials research as a precursor for conjugated systems and UV-curable formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.98
    methanol 158.24
    isopropanol 88.26
    water 0.01
    ethyl acetate 426.19
    n-propanol 117.79
    acetone 595.92
    n-butanol 106.05
    acetonitrile 207.89
    DMF 898.89
    toluene 176.63
    isobutanol 76.2
    1,4-dioxane 228.96
    methyl acetate 329.52
    THF 719.7
    2-butanone 494.52
    n-pentanol 105.6
    sec-butanol 97.1
    n-hexane 15.82
    ethylene glycol 16.53
    NMP 841.18
    cyclohexane 18.3
    DMSO 1088.18
    n-butyl acetate 291.71
    n-octanol 34.15
    chloroform 623.81
    n-propyl acetate 294.09
    acetic acid 163.58
    dichloromethane 836.14
    cyclohexanone 635.37
    propylene glycol 42.06
    isopropyl acetate 266.58
    DMAc 900.85
    2-ethoxyethanol 205.58
    isopentanol 100.73
    n-heptane 6.22
    ethyl formate 140.64
    1,2-dichloroethane 771.3
    n-hexanol 98.01
    2-methoxyethanol 271.41
    isobutyl acetate 173.94
    tetrachloromethane 53.76
    n-pentyl acetate 154.28
    transcutol 1015.38
    n-heptanol 35.81
    ethylbenzene 92.79
    MIBK 254.87
    2-propoxyethanol 235.23
    tert-butanol 118.78
    MTBE 180.39
    2-butoxyethanol 109.42
    propionic acid 144.56
    o-xylene 97.38
    formic acid 39.94
    diethyl ether 202.81
    m-xylene 114.07
    p-xylene 102.77
    chlorobenzene 264.4
    dimethyl carbonate 142.47
    n-octane 3.32
    formamide 105.91
    cyclopentanone 896.38
    2-pentanone 450.48
    anisole 222.57
    cyclopentyl methyl ether 363.8
    gamma-butyrolactone 716.7
    1-methoxy-2-propanol 250.57
    pyridine 425.21
    3-pentanone 334.57
    furfural 522.14
    n-dodecane 2.96
    diethylene glycol 135.8
    diisopropyl ether 68.74
    tert-amyl alcohol 118.23
    acetylacetone 568.9
    n-hexadecane 3.5
    acetophenone 257.9
    methyl propionate 360.22
    isopentyl acetate 250.44
    trichloroethylene 1286.54
    n-nonanol 33.17
    cyclohexanol 115.9
    benzyl alcohol 152.1
    2-ethylhexanol 66.75
    isooctanol 36.42
    dipropyl ether 99.79
    1,2-dichlorobenzene 263.02
    ethyl lactate 110.41
    propylene carbonate 322.6
    n-methylformamide 258.87
    2-pentanol 82.39
    n-pentane 8.78
    1-propoxy-2-propanol 184.06
    1-methoxy-2-propyl acetate 307.79
    2-(2-methoxypropoxy) propanol 161.09
    mesitylene 64.84
    ε-caprolactone 445.42
    p-cymene 45.99
    epichlorohydrin 929.15
    1,1,1-trichloroethane 433.11
    2-aminoethanol 55.84
    morpholine-4-carbaldehyde 474.35
    sulfolane 976.06
    2,2,4-trimethylpentane 9.37
    2-methyltetrahydrofuran 448.58
    n-hexyl acetate 185.87
    isooctane 7.61
    2-(2-butoxyethoxy)ethanol 207.68
    sec-butyl acetate 207.63
    tert-butyl acetate 305.56
    decalin 17.39
    glycerin 57.26
    diglyme 441.25
    acrylic acid 117.25
    isopropyl myristate 63.44
    n-butyric acid 212.63
    acetyl acetate 231.92
    di(2-ethylhexyl) phthalate 64.52
    ethyl propionate 254.81
    nitromethane 552.16
    1,2-diethoxyethane 295.6
    benzonitrile 207.8
    trioctyl phosphate 40.72
    1-bromopropane 312.66
    gamma-valerolactone 749.72
    n-decanol 24.48
    triethyl phosphate 85.22
    4-methyl-2-pentanol 57.45
    propionitrile 163.76
    vinylene carbonate 251.16
    1,1,2-trichlorotrifluoroethane 449.99
    DMS 215.6
    cumene 58.12
    2-octanol 28.53
    2-hexanone 314.37
    octyl acetate 79.52
    limonene 71.5
    1,2-dimethoxyethane 375.4
    ethyl orthosilicate 80.62
    tributyl phosphate 63.34
    diacetone alcohol 293.38
    N,N-dimethylaniline 142.08
    acrylonitrile 231.96
    aniline 168.49
    1,3-propanediol 85.0
    bromobenzene 307.02
    dibromomethane 485.93
    1,1,2,2-tetrachloroethane 947.8
    2-methyl-cyclohexyl acetate 145.92
    tetrabutyl urea 91.72
    diisobutyl methanol 44.93
    2-phenylethanol 132.91
    styrene 128.92
    dioctyl adipate 113.93
    dimethyl sulfate 289.02
    ethyl butyrate 197.82
    methyl lactate 134.25
    butyl lactate 122.52
    diethyl carbonate 118.54
    propanediol butyl ether 108.03
    triethyl orthoformate 119.38
    p-tert-butyltoluene 44.7
    methyl 4-tert-butylbenzoate 147.86
    morpholine 355.43
    tert-butylamine 62.2
    n-dodecanol 19.03
    dimethoxymethane 390.57
    ethylene carbonate 191.02
    cyrene 172.85
    2-ethoxyethyl acetate 264.76
    2-ethylhexyl acetate 186.85
    1,2,4-trichlorobenzene 318.74
    4-methylpyridine 447.64
    dibutyl ether 89.57
    2,6-dimethyl-4-heptanol 44.93
    DEF 490.6
    dimethyl isosorbide 321.24
    tetrachloroethylene 466.8
    eugenol 146.65
    triacetin 200.78
    span 80 121.32
    1,4-butanediol 41.7
    1,1-dichloroethane 510.72
    2-methyl-1-pentanol 106.36
    methyl formate 167.63
    2-methyl-1-butanol 98.42
    n-decane 4.7
    butyronitrile 157.63
    3,7-dimethyl-1-octanol 51.43
    1-chlorooctane 34.96
    1-chlorotetradecane 13.82
    n-nonane 4.28
    undecane 3.58
    tert-butylcyclohexane 16.07
    cyclooctane 5.68
    cyclopentanol 126.14
    tetrahydropyran 324.54
    tert-amyl methyl ether 161.65
    2,5,8-trioxanonane 272.84
    1-hexene 88.57
    2-isopropoxyethanol 155.53
    2,2,2-trifluoroethanol 49.19
    methyl butyrate 326.7

    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