Plakinidone

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  • Identifiers

    CAS number
    137319-23-4

    Molecular formula
    C23H34O5

    SMILES
    CC1=C(C(OOC1=O)(C)CCCCCC(C)CCCCC2=CC=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 32.83%
    Odorless 31.21%
    Sweet 30.97%
    Fatty 29.73%
    Floral 29.08%
    Spicy 28.24%
    Milky 27.85%
    Creamy 27.54%
    Lactonic 23.56%
    Dairy 22.95%

     

    Flavor
    Herbal 39.58%
    Woody 34.54%
    Spice 27.54%
    Mild 25.82%
    Oily 24.11%
    Warm 24.01%
    Celery 23.68%
    Bland 22.74%
    Waxy 21.97%
    Lovage 21.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    9.38 (weak base)

    Molecular weight
    390.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    512°C

    Flash point

    • 189.01 ˚C est.

  • Synonyms

    • Plakinidone
    • 137319-23-4
    • 1,2-Dioxin-3(6H)-one, 5-hydroxy-6-(10-(4-hydroxyphenyl)-6-methyldecyl)-4,6-dimethyl-
    • 5-hydroxy-6-[10-(4-hydroxyphenyl)-6-methyldecyl]-4,6-dimethyl-1,2-dioxin-3-one
    • 5-hydroxy-6-(10-(4-hydroxyphenyl)-6-methyldecyl)-4,6-dimethyl-1,2-dioxin-3-one
    • RefChem:174688
    • CHEMBL484453
    • DTXSID00929767
    • 6-Hydroxy-3-[10-(4-hydroxyphenyl)-6-methyldecyl]-3,5-dimethyl-1,2-dioxin-4(3H)-one
    • 137319-23-4

  • Applications

    Plakinidone (CAS 137319-23-4) is primarily of interest as an intermediate in organic synthesis and as a building block for specialty chemical formulations. In industry, it may be evaluated for applications in polymers and plastics formulations, coatings and inks, adhesives, and cleaning formulations for industrial use; it can act as a reactive ingredient or additive within material formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 380.3
    methanol 382.4
    isopropanol 195.65
    water 0.03
    ethyl acetate 297.58
    n-propanol 285.88
    acetone 365.06
    n-butanol 221.08
    acetonitrile 61.04
    DMF 294.68
    toluene 100.49
    isobutanol 136.71
    1,4-dioxane 428.44
    methyl acetate 206.46
    THF 1077.96
    2-butanone 350.03
    n-pentanol 108.57
    sec-butanol 161.62
    n-hexane 1.19
    ethylene glycol 8.47
    NMP 208.03
    cyclohexane 4.41
    DMSO 321.18
    n-butyl acetate 116.73
    n-octanol 33.79
    chloroform 443.43
    n-propyl acetate 124.91
    acetic acid 146.07
    dichloromethane 477.78
    cyclohexanone 444.33
    propylene glycol 27.07
    isopropyl acetate 200.4
    DMAc 447.18
    2-ethoxyethanol 278.82
    isopentanol 147.76
    n-heptane 1.02
    ethyl formate 95.3
    1,2-dichloroethane 320.98
    n-hexanol 69.45
    2-methoxyethanol 463.28
    isobutyl acetate 79.96
    tetrachloromethane 32.25
    n-pentyl acetate 124.36
    transcutol 850.58
    n-heptanol 42.71
    ethylbenzene 33.0
    MIBK 163.45
    2-propoxyethanol 249.72
    tert-butanol 183.22
    MTBE 208.31
    2-butoxyethanol 150.51
    propionic acid 109.3
    o-xylene 46.35
    formic acid 41.01
    diethyl ether 182.53
    m-xylene 50.72
    p-xylene 37.46
    chlorobenzene 110.61
    dimethyl carbonate 69.33
    n-octane 1.02
    formamide 104.66
    cyclopentanone 494.38
    2-pentanone 301.38
    anisole 112.16
    cyclopentyl methyl ether 228.75
    gamma-butyrolactone 381.72
    1-methoxy-2-propanol 322.93
    pyridine 273.95
    3-pentanone 170.32
    furfural 238.29
    n-dodecane 1.1
    diethylene glycol 105.81
    diisopropyl ether 29.35
    tert-amyl alcohol 145.36
    acetylacetone 327.53
    n-hexadecane 1.33
    acetophenone 109.06
    methyl propionate 205.83
    isopentyl acetate 125.24
    trichloroethylene 537.82
    n-nonanol 35.46
    cyclohexanol 124.96
    benzyl alcohol 106.5
    2-ethylhexanol 33.14
    isooctanol 39.97
    dipropyl ether 36.08
    1,2-dichlorobenzene 96.95
    ethyl lactate 55.55
    propylene carbonate 155.19
    n-methylformamide 164.7
    2-pentanol 95.52
    n-pentane 1.58
    1-propoxy-2-propanol 146.23
    1-methoxy-2-propyl acetate 203.87
    2-(2-methoxypropoxy) propanol 124.02
    mesitylene 23.64
    ε-caprolactone 342.32
    p-cymene 17.11
    epichlorohydrin 726.18
    1,1,1-trichloroethane 190.86
    2-aminoethanol 55.95
    morpholine-4-carbaldehyde 321.12
    sulfolane 355.93
    2,2,4-trimethylpentane 2.73
    2-methyltetrahydrofuran 401.84
    n-hexyl acetate 122.7
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 205.05
    sec-butyl acetate 97.53
    tert-butyl acetate 218.26
    decalin 3.37
    glycerin 34.4
    diglyme 436.21
    acrylic acid 68.5
    isopropyl myristate 36.96
    n-butyric acid 233.5
    acetyl acetate 130.01
    di(2-ethylhexyl) phthalate 43.23
    ethyl propionate 108.3
    nitromethane 305.44
    1,2-diethoxyethane 215.73
    benzonitrile 85.41
    trioctyl phosphate 28.08
    1-bromopropane 116.74
    gamma-valerolactone 677.51
    n-decanol 23.75
    triethyl phosphate 38.61
    4-methyl-2-pentanol 49.21
    propionitrile 85.6
    vinylene carbonate 130.38
    1,1,2-trichlorotrifluoroethane 242.78
    DMS 105.65
    cumene 19.86
    2-octanol 29.59
    2-hexanone 127.51
    octyl acetate 51.47
    limonene 25.77
    1,2-dimethoxyethane 348.2
    ethyl orthosilicate 40.7
    tributyl phosphate 33.69
    diacetone alcohol 242.85
    N,N-dimethylaniline 55.35
    acrylonitrile 98.68
    aniline 129.46
    1,3-propanediol 164.33
    bromobenzene 106.38
    dibromomethane 227.39
    1,1,2,2-tetrachloroethane 420.47
    2-methyl-cyclohexyl acetate 74.03
    tetrabutyl urea 45.89
    diisobutyl methanol 22.55
    2-phenylethanol 97.46
    styrene 40.87
    dioctyl adipate 63.6
    dimethyl sulfate 113.45
    ethyl butyrate 80.61
    methyl lactate 76.34
    butyl lactate 86.46
    diethyl carbonate 46.53
    propanediol butyl ether 94.93
    triethyl orthoformate 61.67
    p-tert-butyltoluene 17.79
    methyl 4-tert-butylbenzoate 115.69
    morpholine 625.15
    tert-butylamine 61.93
    n-dodecanol 15.75
    dimethoxymethane 417.43
    ethylene carbonate 126.18
    cyrene 108.28
    2-ethoxyethyl acetate 251.01
    2-ethylhexyl acetate 82.51
    1,2,4-trichlorobenzene 114.48
    4-methylpyridine 254.02
    dibutyl ether 45.06
    2,6-dimethyl-4-heptanol 22.55
    DEF 252.32
    dimethyl isosorbide 232.07
    tetrachloroethylene 236.15
    eugenol 106.15
    triacetin 141.54
    span 80 91.41
    1,4-butanediol 41.66
    1,1-dichloroethane 247.1
    2-methyl-1-pentanol 94.47
    methyl formate 97.03
    2-methyl-1-butanol 135.75
    n-decane 2.15
    butyronitrile 106.86
    3,7-dimethyl-1-octanol 37.91
    1-chlorooctane 17.54
    1-chlorotetradecane 5.79
    n-nonane 1.59
    undecane 1.48
    tert-butylcyclohexane 2.98
    cyclooctane 1.31
    cyclopentanol 127.17
    tetrahydropyran 439.24
    tert-amyl methyl ether 127.51
    2,5,8-trioxanonane 245.31
    1-hexene 12.01
    2-isopropoxyethanol 170.41
    2,2,2-trifluoroethanol 39.99
    methyl butyrate 142.54

    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