(1R)-1-Ethenyl-6-[(2R,3S)-3-(6-hepten-1-yl)-2-oxiranyl]-2,4-hexadiyn-1-yl (9Z,12Z)-9,12-octadecadienoate

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  • Identifiers

    CAS number
    155551-20-5

    Molecular formula
    C35H52O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fatty 39.71%
    Waxy 35.3%
    Oily 34.46%
    Fruity 32.33%
    Citrus 30.74%
    Sweet 30.14%
    Floral 29.5%
    Fresh 28.32%
    Green 24.62%
    Meaty 23.89%

     

    Flavor
    Bitter 26.13%
    Bland 23.7%
    Oriental 20.09%
    Faint 19.76%
    Herbal 19.61%
    Nitrile 19.52%
    Diterpene 19.32%
    Delicate 19.28%
    Odorless 19.18%
    Low 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    -22.24 (strong acid)

    Molecular weight
    520.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    600°C

    Flash point

    • 84.71 ˚C est.

  • Synonyms

    • DTXSID501111481
    • (1R)-1-Ethenyl-6-[(2R,3S)-3-(6-hepten-1-yl)-2-oxiranyl]-2,4-hexadiyn-1-yl (9Z,12Z)-9,12-octadecadienoate
    • (3R)-8-[(2R,3S)-3-(Hept-6-en-1-yl)oxiran-2-yl]oct-1-ene-4,6-diyn-3-yl (9Z,12Z)-octadeca-9,12-dienoate
    • 155551-20-5
    • 155551-20-5

  • Applications

    Chemical name: (1R)-1-Ethenyl-6-[(2R,3S)-3-(6-hepten-1-yl)-2-oxiranyl]-2,4-hexadiyn-1-yl (9Z,12Z)-9,12-octadecadienoate; CAS number: 155551-20-5; this multifunctional monomer is used as a building block for UV-curable polymer systems and crosslinked coatings, and can serve as a reactive linker in adhesive and epoxy formulations; owing to its lipid-like character and multiple functional groups, it is often treated as an intermediate in the synthesis of functional polymers and can act as a lipid-like component in cosmetic formulations at appropriate loadings; additional applications include electronic/optical materials and specialty coating, ink, and adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.33
    methanol 63.02
    isopropanol 31.75
    water 0.09
    ethyl acetate 193.39
    n-propanol 48.97
    acetone 160.72
    n-butanol 49.99
    acetonitrile 66.7
    DMF 117.23
    toluene 63.38
    isobutanol 36.55
    1,4-dioxane 149.02
    methyl acetate 136.45
    THF 351.81
    2-butanone 207.44
    n-pentanol 48.71
    sec-butanol 49.19
    n-hexane 9.14
    ethylene glycol 5.23
    NMP 255.19
    cyclohexane 26.34
    DMSO 242.43
    n-butyl acetate 124.16
    n-octanol 28.83
    chloroform 580.25
    n-propyl acetate 159.22
    acetic acid 120.93
    dichloromethane 693.61
    cyclohexanone 350.47
    propylene glycol 11.79
    isopropyl acetate 143.56
    DMAc 334.27
    2-ethoxyethanol 103.89
    isopentanol 50.78
    n-heptane 7.57
    ethyl formate 83.44
    1,2-dichloroethane 358.73
    n-hexanol 30.36
    2-methoxyethanol 91.1
    isobutyl acetate 95.6
    tetrachloromethane 75.06
    n-pentyl acetate 147.21
    transcutol 387.62
    n-heptanol 30.44
    ethylbenzene 43.46
    MIBK 116.94
    2-propoxyethanol 84.11
    tert-butanol 36.73
    MTBE 73.85
    2-butoxyethanol 97.74
    propionic acid 83.68
    o-xylene 43.27
    formic acid 34.73
    diethyl ether 88.84
    m-xylene 37.64
    p-xylene 52.88
    chlorobenzene 122.1
    dimethyl carbonate 60.96
    n-octane 4.2
    formamide 66.67
    cyclopentanone 338.0
    2-pentanone 178.17
    anisole 104.22
    cyclopentyl methyl ether 144.9
    gamma-butyrolactone 321.86
    1-methoxy-2-propanol 80.62
    pyridine 194.92
    3-pentanone 155.78
    furfural 225.15
    n-dodecane 3.15
    diethylene glycol 37.67
    diisopropyl ether 30.35
    tert-amyl alcohol 54.93
    acetylacetone 239.02
    n-hexadecane 3.71
    acetophenone 135.72
    methyl propionate 142.98
    isopentyl acetate 117.26
    trichloroethylene 625.68
    n-nonanol 31.21
    cyclohexanol 68.2
    benzyl alcohol 66.0
    2-ethylhexanol 32.43
    isooctanol 30.57
    dipropyl ether 63.57
    1,2-dichlorobenzene 132.84
    ethyl lactate 67.75
    propylene carbonate 178.42
    n-methylformamide 70.89
    2-pentanol 37.67
    n-pentane 7.05
    1-propoxy-2-propanol 74.39
    1-methoxy-2-propyl acetate 141.94
    2-(2-methoxypropoxy) propanol 96.53
    mesitylene 23.17
    ε-caprolactone 309.63
    p-cymene 25.83
    epichlorohydrin 448.05
    1,1,1-trichloroethane 289.17
    2-aminoethanol 18.5
    morpholine-4-carbaldehyde 186.93
    sulfolane 404.59
    2,2,4-trimethylpentane 7.06
    2-methyltetrahydrofuran 233.88
    n-hexyl acetate 132.19
    isooctane 3.5
    2-(2-butoxyethoxy)ethanol 125.56
    sec-butyl acetate 125.97
    tert-butyl acetate 140.62
    decalin 12.56
    glycerin 18.55
    diglyme 313.4
    acrylic acid 67.61
    isopropyl myristate 45.49
    n-butyric acid 150.25
    acetyl acetate 142.26
    di(2-ethylhexyl) phthalate 45.24
    ethyl propionate 141.77
    nitromethane 247.65
    1,2-diethoxyethane 151.66
    benzonitrile 77.88
    trioctyl phosphate 28.69
    1-bromopropane 174.94
    gamma-valerolactone 432.32
    n-decanol 20.51
    triethyl phosphate 68.45
    4-methyl-2-pentanol 26.6
    propionitrile 67.43
    vinylene carbonate 154.16
    1,1,2-trichlorotrifluoroethane 297.36
    DMS 101.97
    cumene 29.9
    2-octanol 23.36
    2-hexanone 149.51
    octyl acetate 55.86
    limonene 42.47
    1,2-dimethoxyethane 203.26
    ethyl orthosilicate 67.84
    tributyl phosphate 42.13
    diacetone alcohol 125.15
    N,N-dimethylaniline 65.88
    acrylonitrile 71.39
    aniline 69.19
    1,3-propanediol 33.97
    bromobenzene 142.04
    dibromomethane 368.15
    1,1,2,2-tetrachloroethane 528.46
    2-methyl-cyclohexyl acetate 99.89
    tetrabutyl urea 62.34
    diisobutyl methanol 24.22
    2-phenylethanol 56.76
    styrene 53.87
    dioctyl adipate 82.35
    dimethyl sulfate 110.46
    ethyl butyrate 132.3
    methyl lactate 61.05
    butyl lactate 94.92
    diethyl carbonate 83.23
    propanediol butyl ether 63.18
    triethyl orthoformate 100.26
    p-tert-butyltoluene 21.55
    methyl 4-tert-butylbenzoate 107.98
    morpholine 182.99
    tert-butylamine 22.87
    n-dodecanol 14.55
    dimethoxymethane 114.99
    ethylene carbonate 136.91
    cyrene 110.54
    2-ethoxyethyl acetate 222.32
    2-ethylhexyl acetate 97.98
    1,2,4-trichlorobenzene 164.95
    4-methylpyridine 164.57
    dibutyl ether 68.44
    2,6-dimethyl-4-heptanol 24.22
    DEF 172.9
    dimethyl isosorbide 180.25
    tetrachloroethylene 303.87
    eugenol 90.39
    triacetin 184.86
    span 80 78.58
    1,4-butanediol 17.48
    1,1-dichloroethane 265.47
    2-methyl-1-pentanol 56.47
    methyl formate 58.17
    2-methyl-1-butanol 52.6
    n-decane 6.3
    butyronitrile 78.36
    3,7-dimethyl-1-octanol 33.22
    1-chlorooctane 32.4
    1-chlorotetradecane 11.17
    n-nonane 5.59
    undecane 4.19
    tert-butylcyclohexane 8.64
    cyclooctane 7.53
    cyclopentanol 63.53
    tetrahydropyran 200.15
    tert-amyl methyl ether 74.49
    2,5,8-trioxanonane 171.23
    1-hexene 32.42
    2-isopropoxyethanol 79.21
    2,2,2-trifluoroethanol 55.73
    methyl butyrate 182.34

    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