9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-ethenyl-6-[(2R,3S)-3-heptyloxiranyl]-2,4-hexadiynyl ester

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  • Identifiers

    CAS number
    155551-19-2

    Molecular formula
    C35H54O3

    SMILES
    CCCCCCC[C@H]1[C@H](O1)CC#CC#C[C@@H](C=C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 36.88%
    Oily 34.44%
    Waxy 33.98%
    Fruity 29.54%
    Citrus 28.29%
    Floral 26.43%
    Fresh 26.41%
    Green 24.99%
    Sweet 24.83%
    Meaty 23.91%

     

    Flavor
    Bland 26.82%
    Bitter 26.75%
    Herbal 20.52%
    Faint 20.15%
    Odorless 20.01%
    Oriental 19.66%
    Delicate 19.28%
    Nitrile 19.15%
    Diterpene 19.08%
    Slightly waxy 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.8

    pKa est.
    -21.87 (strong acid)

    Molecular weight
    522.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    609°C

    Flash point

    • 85.5 ˚C est.

  • Synonyms

    • DTXSID001113032
    • (3R)-8-[(2R,3S)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-yl (9Z,12Z)-octadeca-9,12-dienoate
    • 155551-19-2
    • 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-ethenyl-6-[(2R,3S)-3-heptyloxiranyl]-2,4-hexadiynyl ester
    • 155551-19-2

  • Applications

    Chemical name: 9,12-Octadecadienoic acid (9Z,12Z)-, (1R)-1-ethenyl-6-[(2R,3S)-3-heptyloxiranyl]-2,4-hexadiynyl ester; CAS 155551-19-2 is a fatty-acid–based ester commonly used as a multifunctional monomer in UV-curable coatings, inks, and adhesive formulations, where the long-chain linoleic moiety provides hydrophobic character and the vinyl, diynyl, and epoxide functionalities enable rapid crosslinking and network formation. It is employed as a building block for specialty polymers and crosslinked resin systems in industrial manufacturing and electronics-related materials; it may be evaluated for high-performance coating and material-formulation applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.15
    methanol 66.09
    isopropanol 39.47
    water 0.11
    ethyl acetate 285.41
    n-propanol 60.38
    acetone 208.07
    n-butanol 62.67
    acetonitrile 84.0
    DMF 157.22
    toluene 90.25
    isobutanol 48.21
    1,4-dioxane 198.94
    methyl acetate 187.28
    THF 464.38
    2-butanone 269.44
    n-pentanol 60.58
    sec-butanol 64.0
    n-hexane 14.36
    ethylene glycol 5.74
    NMP 355.88
    cyclohexane 43.07
    DMSO 289.54
    n-butyl acetate 180.55
    n-octanol 39.09
    chloroform 783.19
    n-propyl acetate 228.97
    acetic acid 144.16
    dichloromethane 938.84
    cyclohexanone 475.57
    propylene glycol 13.29
    isopropyl acetate 214.97
    DMAc 436.09
    2-ethoxyethanol 126.33
    isopentanol 65.47
    n-heptane 11.84
    ethyl formate 108.41
    1,2-dichloroethane 492.21
    n-hexanol 39.79
    2-methoxyethanol 107.0
    isobutyl acetate 140.61
    tetrachloromethane 111.54
    n-pentyl acetate 217.91
    transcutol 481.54
    n-heptanol 40.59
    ethylbenzene 62.25
    MIBK 166.07
    2-propoxyethanol 104.92
    tert-butanol 48.52
    MTBE 109.64
    2-butoxyethanol 125.48
    propionic acid 107.21
    o-xylene 64.37
    formic acid 37.63
    diethyl ether 128.46
    m-xylene 55.57
    p-xylene 77.83
    chlorobenzene 173.95
    dimethyl carbonate 82.86
    n-octane 6.39
    formamide 75.11
    cyclopentanone 462.15
    2-pentanone 246.74
    anisole 141.8
    cyclopentyl methyl ether 216.03
    gamma-butyrolactone 440.46
    1-methoxy-2-propanol 101.09
    pyridine 259.55
    3-pentanone 218.43
    furfural 295.02
    n-dodecane 4.52
    diethylene glycol 44.43
    diisopropyl ether 47.76
    tert-amyl alcohol 73.97
    acetylacetone 337.58
    n-hexadecane 5.43
    acetophenone 185.55
    methyl propionate 200.83
    isopentyl acetate 166.45
    trichloroethylene 849.9
    n-nonanol 42.49
    cyclohexanol 92.71
    benzyl alcohol 84.77
    2-ethylhexanol 43.7
    isooctanol 41.62
    dipropyl ether 91.71
    1,2-dichlorobenzene 189.74
    ethyl lactate 89.69
    propylene carbonate 250.91
    n-methylformamide 88.31
    2-pentanol 51.14
    n-pentane 11.15
    1-propoxy-2-propanol 96.95
    1-methoxy-2-propyl acetate 197.65
    2-(2-methoxypropoxy) propanol 121.99
    mesitylene 35.1
    ε-caprolactone 433.48
    p-cymene 37.42
    epichlorohydrin 602.98
    1,1,1-trichloroethane 429.27
    2-aminoethanol 20.85
    morpholine-4-carbaldehyde 248.36
    sulfolane 556.79
    2,2,4-trimethylpentane 11.03
    2-methyltetrahydrofuran 331.75
    n-hexyl acetate 192.88
    isooctane 5.54
    2-(2-butoxyethoxy)ethanol 156.59
    sec-butyl acetate 184.02
    tert-butyl acetate 210.75
    decalin 19.52
    glycerin 20.92
    diglyme 404.39
    acrylic acid 83.47
    isopropyl myristate 64.43
    n-butyric acid 199.23
    acetyl acetate 205.34
    di(2-ethylhexyl) phthalate 60.27
    ethyl propionate 207.49
    nitromethane 313.02
    1,2-diethoxyethane 208.83
    benzonitrile 105.22
    trioctyl phosphate 39.08
    1-bromopropane 250.3
    gamma-valerolactone 569.11
    n-decanol 27.56
    triethyl phosphate 95.85
    4-methyl-2-pentanol 36.25
    propionitrile 88.21
    vinylene carbonate 209.8
    1,1,2-trichlorotrifluoroethane 376.26
    DMS 148.16
    cumene 43.07
    2-octanol 33.07
    2-hexanone 203.7
    octyl acetate 78.99
    limonene 62.07
    1,2-dimethoxyethane 263.0
    ethyl orthosilicate 95.02
    tributyl phosphate 57.61
    diacetone alcohol 170.24
    N,N-dimethylaniline 90.14
    acrylonitrile 91.88
    aniline 89.9
    1,3-propanediol 39.65
    bromobenzene 206.31
    dibromomethane 511.37
    1,1,2,2-tetrachloroethane 713.71
    2-methyl-cyclohexyl acetate 139.82
    tetrabutyl urea 84.93
    diisobutyl methanol 33.46
    2-phenylethanol 73.74
    styrene 76.41
    dioctyl adipate 113.35
    dimethyl sulfate 153.8
    ethyl butyrate 187.06
    methyl lactate 79.91
    butyl lactate 129.82
    diethyl carbonate 118.69
    propanediol butyl ether 79.71
    triethyl orthoformate 138.81
    p-tert-butyltoluene 31.62
    methyl 4-tert-butylbenzoate 149.99
    morpholine 241.13
    tert-butylamine 31.29
    n-dodecanol 19.45
    dimethoxymethane 152.38
    ethylene carbonate 189.7
    cyrene 140.65
    2-ethoxyethyl acetate 317.1
    2-ethylhexyl acetate 142.65
    1,2,4-trichlorobenzene 235.09
    4-methylpyridine 226.52
    dibutyl ether 97.64
    2,6-dimethyl-4-heptanol 33.46
    DEF 243.48
    dimethyl isosorbide 234.19
    tetrachloroethylene 413.67
    eugenol 118.82
    triacetin 262.49
    span 80 101.36
    1,4-butanediol 20.56
    1,1-dichloroethane 377.2
    2-methyl-1-pentanol 71.66
    methyl formate 72.6
    2-methyl-1-butanol 67.47
    n-decane 9.38
    butyronitrile 101.59
    3,7-dimethyl-1-octanol 44.93
    1-chlorooctane 47.25
    1-chlorotetradecane 15.99
    n-nonane 8.49
    undecane 6.11
    tert-butylcyclohexane 13.47
    cyclooctane 12.82
    cyclopentanol 87.59
    tetrahydropyran 280.53
    tert-amyl methyl ether 111.17
    2,5,8-trioxanonane 216.72
    1-hexene 46.92
    2-isopropoxyethanol 100.97
    2,2,2-trifluoroethanol 72.26
    methyl butyrate 259.47

    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