ZINC;diheptoxy-sulfanylidene-sulfido-lambda5-phosphane

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  • Identifiers

    CAS number
    8022-72-8

    Molecular formula
    C28H60O4P2S4Zn

    SMILES
    CCCCCCCOP(=S)(OCCCCCCC)[S-].CCCCCCCOP(=S)(OCCCCCCC)[S-].[Zn+2]

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 41.22%
    Green 33.67%
    Fruity 31.65%
    Grapefruit 31.05%
    Tropical 30.39%
    Fresh 30.32%
    Citrus 29.9%
    Oily 28.98%
    Savory 24.54%
    Sulfurous 23.96%

     

    Flavor
    Green 33.1%
    Fatty 30.47%
    Sulfurous 26.44%
    Mild 25.26%
    Sulfury 24.73%
    Bland 23.02%
    Waxy 22.67%
    Bay oil 21.19%
    Slightly waxy 21.1%
    Cultured dairy 20.94%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.44 (weak acid)

    Molecular weight
    716.4 g/mol

    Flash point

    • 170.38 ˚C est.

  • Synonyms

    • zinc;diheptoxy-sulfanylidene-sulfido-lambda5-phosphane
    • EINECS 272-028-3
    • Essential oils, Melaleuca alternifolia
    • SCHEMBL164653
    • Melaleuca alternifolia leaf oil
    • DTXSID30874014
    • ZKAQFYDDTYGBBV-UHFFFAOYSA-L
    • DA-73206
    • FM157335
    • Zinc bis(O,O-diheptyl phosphorodithioate)
    • Melaleuca Alternifolia oil Australian 100% Pure
    • 8022-72-8
    • 82322-26-7

  • Applications

    ZINC;diheptoxy-sulfanylidene-sulfido-lambda5-phosphane (CAS 8022-72-8) is a zinc complex bearing a phosphine sulfide-type ligand commonly used as a ligand or catalyst precursor in homogeneous catalysis and organic synthesis, notably for olefin polymerization and related catalytic reactions; it also serves as a building block or precursor in organophosphorus chemistry to design ligands and metal complexes; additionally, it can function as a ligand for metal nanoparticles and in coating/ink systems to tune stability and compatibility with substrates; in research and development, Zn–phosphorus–sulfur-based materials derived from this class are explored for electronic and photonic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 176.31
    methanol 138.94
    isopropanol 159.21
    water 0.05
    ethyl acetate 623.53
    n-propanol 206.54
    acetone 737.2
    n-butanol 212.83
    acetonitrile 283.08
    DMF 1208.13
    toluene 477.28
    isobutanol 183.44
    1,4-dioxane 778.14
    methyl acetate 493.39
    THF 1775.97
    2-butanone 670.05
    n-pentanol 179.19
    sec-butanol 202.38
    n-hexane 47.65
    ethylene glycol 22.7
    NMP 1748.48
    cyclohexane 250.04
    DMSO 1222.18
    n-butyl acetate 715.75
    n-octanol 175.47
    chloroform 2430.31
    n-propyl acetate 563.66
    acetic acid 367.85
    dichloromethane 2450.02
    cyclohexanone 1682.85
    propylene glycol 58.61
    isopropyl acetate 453.83
    DMAc 1196.07
    2-ethoxyethanol 309.73
    isopentanol 207.84
    n-heptane 67.5
    ethyl formate 382.39
    1,2-dichloroethane 1660.57
    n-hexanol 228.24
    2-methoxyethanol 384.06
    isobutyl acetate 376.43
    tetrachloromethane 369.7
    n-pentyl acetate 666.78
    transcutol 1106.59
    n-heptanol 174.64
    ethylbenzene 213.22
    MIBK 405.41
    2-propoxyethanol 399.47
    tert-butanol 239.6
    MTBE 395.51
    2-butoxyethanol 357.68
    propionic acid 300.86
    o-xylene 314.7
    formic acid 72.6
    diethyl ether 427.38
    m-xylene 286.83
    p-xylene 300.82
    chlorobenzene 848.78
    dimethyl carbonate 273.31
    n-octane 30.14
    formamide 167.73
    cyclopentanone 2000.19
    2-pentanone 628.66
    anisole 444.35
    cyclopentyl methyl ether 1009.15
    gamma-butyrolactone 1762.71
    1-methoxy-2-propanol 344.47
    pyridine 1073.18
    3-pentanone 577.61
    furfural 1391.2
    n-dodecane 19.21
    diethylene glycol 189.48
    diisopropyl ether 169.31
    tert-amyl alcohol 253.32
    acetylacetone 805.92
    n-hexadecane 23.59
    acetophenone 559.11
    methyl propionate 527.15
    isopentyl acetate 594.17
    trichloroethylene 2965.47
    n-nonanol 165.23
    cyclohexanol 432.06
    benzyl alcohol 309.13
    2-ethylhexanol 209.0
    isooctanol 161.74
    dipropyl ether 395.78
    1,2-dichlorobenzene 854.39
    ethyl lactate 220.29
    propylene carbonate 1005.89
    n-methylformamide 418.99
    2-pentanol 175.36
    n-pentane 49.24
    1-propoxy-2-propanol 400.59
    1-methoxy-2-propyl acetate 600.41
    2-(2-methoxypropoxy) propanol 308.48
    mesitylene 188.74
    ε-caprolactone 1266.09
    p-cymene 185.79
    epichlorohydrin 1850.34
    1,1,1-trichloroethane 1449.66
    2-aminoethanol 81.09
    morpholine-4-carbaldehyde 1254.05
    sulfolane 2305.84
    2,2,4-trimethylpentane 38.36
    2-methyltetrahydrofuran 1144.42
    n-hexyl acetate 600.67
    isooctane 24.2
    2-(2-butoxyethoxy)ethanol 406.61
    sec-butyl acetate 383.89
    tert-butyl acetate 513.91
    decalin 77.54
    glycerin 90.32
    diglyme 955.94
    acrylic acid 264.88
    isopropyl myristate 223.67
    n-butyric acid 520.16
    acetyl acetate 479.52
    di(2-ethylhexyl) phthalate 201.45
    ethyl propionate 424.56
    nitromethane 883.12
    1,2-diethoxyethane 612.58
    benzonitrile 569.59
    trioctyl phosphate 149.34
    1-bromopropane 744.58
    gamma-valerolactone 1996.6
    n-decanol 114.6
    triethyl phosphate 258.52
    4-methyl-2-pentanol 118.83
    propionitrile 320.67
    vinylene carbonate 865.57
    1,1,2-trichlorotrifluoroethane 1075.43
    DMS 455.64
    cumene 139.24
    2-octanol 153.05
    2-hexanone 511.73
    octyl acetate 283.54
    limonene 339.92
    1,2-dimethoxyethane 692.59
    ethyl orthosilicate 257.84
    tributyl phosphate 203.07
    diacetone alcohol 406.73
    N,N-dimethylaniline 304.6
    acrylonitrile 404.28
    aniline 423.22
    1,3-propanediol 142.92
    bromobenzene 1030.99
    dibromomethane 1587.05
    1,1,2,2-tetrachloroethane 2518.31
    2-methyl-cyclohexyl acetate 472.6
    tetrabutyl urea 297.77
    diisobutyl methanol 149.24
    2-phenylethanol 317.26
    styrene 304.3
    dioctyl adipate 335.62
    dimethyl sulfate 552.27
    ethyl butyrate 517.51
    methyl lactate 239.53
    butyl lactate 402.25
    diethyl carbonate 340.36
    propanediol butyl ether 298.16
    triethyl orthoformate 405.16
    p-tert-butyltoluene 177.23
    methyl 4-tert-butylbenzoate 441.18
    morpholine 957.25
    tert-butylamine 165.48
    n-dodecanol 85.83
    dimethoxymethane 608.54
    ethylene carbonate 784.54
    cyrene 405.22
    2-ethoxyethyl acetate 726.57
    2-ethylhexyl acetate 550.31
    1,2,4-trichlorobenzene 963.72
    4-methylpyridine 1060.77
    dibutyl ether 352.06
    2,6-dimethyl-4-heptanol 149.24
    DEF 824.63
    dimethyl isosorbide 756.23
    tetrachloroethylene 1393.96
    eugenol 354.46
    triacetin 613.3
    span 80 341.85
    1,4-butanediol 72.54
    1,1-dichloroethane 1264.44
    2-methyl-1-pentanol 179.99
    methyl formate 332.38
    2-methyl-1-butanol 209.98
    n-decane 39.54
    butyronitrile 365.93
    3,7-dimethyl-1-octanol 187.21
    1-chlorooctane 223.87
    1-chlorotetradecane 74.74
    n-nonane 37.59
    undecane 25.74
    tert-butylcyclohexane 56.48
    cyclooctane 76.52
    cyclopentanol 468.53
    tetrahydropyran 1060.23
    tert-amyl methyl ether 378.0
    2,5,8-trioxanonane 551.18
    1-hexene 166.9
    2-isopropoxyethanol 249.19
    2,2,2-trifluoroethanol 182.59
    methyl butyrate 612.26

    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