(1R,7Z)-1-Ethenyl-7-pentadecene-2,4-diyn-1-yl (9Z,12Z)-9,12-octadecadienoate

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  • Identifiers

    CAS number
    155551-18-1

    Molecular formula
    C35H54O2

    SMILES
    CCCCCCC/C=C\CC#CC#C[C@@H](C=C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 48.83%
    Oily 41.04%
    Waxy 39.77%
    Fruity 35.66%
    Green 33.26%
    Citrus 30.51%
    Floral 28.71%
    Fresh 27.58%
    Sweet 26.51%
    Herbal 23.69%

     

    Flavor
    Faint 21.91%
    Bland 21.25%
    Oriental 20.07%
    Delicate 19.21%
    Diterpene 19.13%
    Low 19.01%
    Nitrile 18.82%
    Slightly waxy 18.69%
    Terpentine 18.59%
    Sandalwood 17.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.9

    pKa est.
    5.98 (weak acid)

    Molecular weight
    506.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    503°C

    Flash point

    • 258.06 ˚C est.

  • Synonyms

    • DTXSID001142120
    • (1R,7Z)-1-Ethenyl-7-pentadecene-2,4-diyn-1-yl (9Z,12Z)-9,12-octadecadienoate
    • (3R,9Z)-Heptadeca-1,9-diene-4,6-diyn-3-yl (9Z,12Z)-octadeca-9,12-dienoate
    • 155551-18-1
    • 155551-18-1

  • Applications

    Chemical name: (1R,7Z)-1-Ethenyl-7-pentadecene-2,4-diyn-1-yl (9Z,12Z)-9,12-octadecadienoate; CAS number: 155551-18-1 is a lipid-like ester bearing a diynyl enyne moiety and is primarily used as a chemical building block in polymer and materials synthesis. In practical terms, it may function as a reactive monomer or crosslinking agent in specialty polymers and in UV-curable coatings and inks, as a component in adhesive formulations, and as a general intermediate in industrial manufacturing for the preparation of advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.49
    methanol 100.56
    isopropanol 56.55
    water 0.19
    ethyl acetate 495.38
    n-propanol 91.12
    acetone 370.36
    n-butanol 96.11
    acetonitrile 124.11
    DMF 401.57
    toluene 198.83
    isobutanol 78.12
    1,4-dioxane 330.55
    methyl acetate 302.11
    THF 867.72
    2-butanone 435.37
    n-pentanol 89.89
    sec-butanol 103.21
    n-hexane 41.14
    ethylene glycol 6.67
    NMP 925.71
    cyclohexane 143.65
    DMSO 601.87
    n-butyl acetate 320.82
    n-octanol 76.32
    chloroform 1154.45
    n-propyl acetate 398.69
    acetic acid 186.57
    dichloromethane 1434.96
    cyclohexanone 1033.41
    propylene glycol 17.87
    isopropyl acetate 380.66
    DMAc 967.74
    2-ethoxyethanol 174.6
    isopentanol 107.52
    n-heptane 30.72
    ethyl formate 191.27
    1,2-dichloroethane 965.01
    n-hexanol 64.17
    2-methoxyethanol 165.17
    isobutyl acetate 241.62
    tetrachloromethane 240.91
    n-pentyl acetate 467.13
    transcutol 818.24
    n-heptanol 75.12
    ethylbenzene 125.81
    MIBK 321.51
    2-propoxyethanol 154.52
    tert-butanol 84.38
    MTBE 207.76
    2-butoxyethanol 201.55
    propionic acid 166.7
    o-xylene 150.8
    formic acid 47.39
    diethyl ether 246.45
    m-xylene 132.64
    p-xylene 159.12
    chlorobenzene 347.03
    dimethyl carbonate 156.65
    n-octane 17.29
    formamide 104.34
    cyclopentanone 907.59
    2-pentanone 456.32
    anisole 255.89
    cyclopentyl methyl ether 504.47
    gamma-butyrolactone 836.2
    1-methoxy-2-propanol 174.69
    pyridine 460.96
    3-pentanone 410.15
    furfural 552.4
    n-dodecane 10.39
    diethylene glycol 58.29
    diisopropyl ether 102.47
    tert-amyl alcohol 134.97
    acetylacetone 611.87
    n-hexadecane 12.5
    acetophenone 336.77
    methyl propionate 374.51
    isopentyl acetate 300.09
    trichloroethylene 1478.19
    n-nonanol 79.27
    cyclohexanol 194.34
    benzyl alcohol 137.84
    2-ethylhexanol 80.52
    isooctanol 83.51
    dipropyl ether 189.05
    1,2-dichlorobenzene 395.96
    ethyl lactate 130.07
    propylene carbonate 466.03
    n-methylformamide 170.05
    2-pentanol 87.07
    n-pentane 31.25
    1-propoxy-2-propanol 163.38
    1-methoxy-2-propyl acetate 322.55
    2-(2-methoxypropoxy) propanol 190.06
    mesitylene 89.11
    ε-caprolactone 846.53
    p-cymene 75.69
    epichlorohydrin 967.54
    1,1,1-trichloroethane 801.23
    2-aminoethanol 26.13
    morpholine-4-carbaldehyde 506.08
    sulfolane 1254.93
    2,2,4-trimethylpentane 29.76
    2-methyltetrahydrofuran 663.75
    n-hexyl acetate 388.7
    isooctane 13.23
    2-(2-butoxyethoxy)ethanol 248.14
    sec-butyl acetate 307.6
    tert-butyl acetate 438.19
    decalin 53.1
    glycerin 28.16
    diglyme 653.61
    acrylic acid 123.69
    isopropyl myristate 119.16
    n-butyric acid 344.11
    acetyl acetate 335.68
    di(2-ethylhexyl) phthalate 103.94
    ethyl propionate 373.7
    nitromethane 497.32
    1,2-diethoxyethane 400.11
    benzonitrile 178.6
    trioctyl phosphate 73.5
    1-bromopropane 487.64
    gamma-valerolactone 1020.06
    n-decanol 50.23
    triethyl phosphate 163.61
    4-methyl-2-pentanol 63.83
    propionitrile 142.6
    vinylene carbonate 387.3
    1,1,2-trichlorotrifluoroethane 549.49
    DMS 269.77
    cumene 85.33
    2-octanol 68.77
    2-hexanone 358.22
    octyl acetate 152.62
    limonene 138.31
    1,2-dimethoxyethane 405.54
    ethyl orthosilicate 165.46
    tributyl phosphate 104.71
    diacetone alcohol 320.5
    N,N-dimethylaniline 179.79
    acrylonitrile 145.8
    aniline 157.74
    1,3-propanediol 53.52
    bromobenzene 421.06
    dibromomethane 841.56
    1,1,2,2-tetrachloroethane 1330.47
    2-methyl-cyclohexyl acetate 255.85
    tetrabutyl urea 158.66
    diisobutyl methanol 64.05
    2-phenylethanol 106.67
    styrene 156.5
    dioctyl adipate 218.03
    dimethyl sulfate 317.32
    ethyl butyrate 325.66
    methyl lactate 133.58
    butyl lactate 235.54
    diethyl carbonate 183.06
    propanediol butyl ether 131.01
    triethyl orthoformate 233.0
    p-tert-butyltoluene 67.79
    methyl 4-tert-butylbenzoate 293.83
    morpholine 417.12
    tert-butylamine 60.4
    n-dodecanol 35.19
    dimethoxymethane 326.13
    ethylene carbonate 337.55
    cyrene 221.27
    2-ethoxyethyl acetate 549.48
    2-ethylhexyl acetate 255.14
    1,2,4-trichlorobenzene 451.46
    4-methylpyridine 444.56
    dibutyl ether 217.13
    2,6-dimethyl-4-heptanol 64.05
    DEF 530.69
    dimethyl isosorbide 428.42
    tetrachloroethylene 807.98
    eugenol 215.93
    triacetin 449.08
    span 80 186.44
    1,4-butanediol 26.59
    1,1-dichloroethane 665.34
    2-methyl-1-pentanol 114.02
    methyl formate 135.75
    2-methyl-1-butanol 114.63
    n-decane 22.58
    butyronitrile 174.99
    3,7-dimethyl-1-octanol 85.28
    1-chlorooctane 109.35
    1-chlorotetradecane 33.62
    n-nonane 21.66
    undecane 14.38
    tert-butylcyclohexane 35.46
    cyclooctane 43.35
    cyclopentanol 170.7
    tetrahydropyran 560.75
    tert-amyl methyl ether 233.89
    2,5,8-trioxanonane 354.13
    1-hexene 107.37
    2-isopropoxyethanol 151.24
    2,2,2-trifluoroethanol 88.89
    methyl butyrate 491.34

    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