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

    Herbal 42.11%
    Green 40.08%
    Grapefruit 36.96%
    Fruity 35.93%
    Citrus 34.77%
    Fresh 32.55%
    Tropical 32.16%
    Oily 27.2%
    Mint 25.61%
    Sulfurous 23.73%

    Scent© AI

  • Properties

    Molecular weight
    716.4 g/mol

    Flash point est.
    193.39 ˚C

  • 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

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.02
    methanol 41.91
    isopropanol 18.78
    water 0.91
    ethyl acetate 88.04
    n-propanol 30.99
    acetone 91.14
    n-butanol 27.38
    acetonitrile 48.51
    DMF 248.02
    toluene 30.77
    isobutanol 20.96
    1,4-dioxane 60.84
    methyl acetate 73.89
    THF 124.78
    2-butanone 75.73
    n-pentanol 30.53
    sec-butanol 21.11
    n-hexane 5.53
    ethylene glycol 14.92
    NMP 460.39
    cyclohexane 8.51
    DMSO 241.15
    n-butyl acetate 74.8
    n-octanol 24.35
    chloroform 500.47
    n-propyl acetate 82.17
    acetic acid 141.12
    dichloromethane 520.69
    cyclohexanone 167.85
    propylene glycol 21.25
    isopropyl acetate 65.7
    DMAc 299.82
    2-ethoxyethanol 78.58
    isopentanol 25.08
    n-heptane 5.9
    ethyl formate 74.54
    1,2-dichloroethane 263.17
    n-hexanol 30.41
    2-methoxyethanol 88.4
    isobutyl acetate 49.34
    tetrachloromethane 55.07
    n-pentyl acetate 91.43
    transcutol 185.77
    n-heptanol 28.43
    ethylbenzene 25.14
    MIBK 51.14
    2-propoxyethanol 84.43
    tert-butanol 24.05
    MTBE 22.65
    2-butoxyethanol 76.41
    propionic acid 79.65
    o-xylene 38.05
    formic acid 69.25
    diethyl ether 35.61
    m-xylene 33.69
    p-xylene 34.4
    chlorobenzene 84.21
    dimethyl carbonate 66.86
    n-octane 3.71
    formamide 115.9
    cyclopentanone 213.68
    2-pentanone 75.83
    anisole 49.78
    cyclopentyl methyl ether 83.04
    gamma-butyrolactone 286.09
    1-methoxy-2-propanol 77.66
    pyridine 100.58
    3-pentanone 74.57
    furfural 280.45
    n-dodecane 2.64
    diethylene glycol 62.57
    diisopropyl ether 15.71
    tert-amyl alcohol 25.96
    acetylacetone 134.46
    n-hexadecane 2.99
    acetophenone 97.06
    methyl propionate 90.17
    isopentyl acetate 63.61
    trichloroethylene 540.18
    n-nonanol 25.7
    cyclohexanol 40.89
    benzyl alcohol 56.83
    2-ethylhexanol 27.39
    isooctanol 24.57
    dipropyl ether 35.24
    1,2-dichlorobenzene 125.25
    ethyl lactate 66.3
    propylene carbonate 187.43
    n-methylformamide 113.42
    2-pentanol 20.77
    n-pentane 4.91
    1-propoxy-2-propanol 71.64
    1-methoxy-2-propyl acetate 97.76
    2-(2-methoxypropoxy) propanol 78.88
    mesitylene 24.77
    ε-caprolactone 175.61
    p-cymene 26.94
    epichlorohydrin 262.93
    1,1,1-trichloroethane 178.1
    2-aminoethanol 30.83
    morpholine-4-carbaldehyde 249.48
    sulfolane 456.63
    2,2,4-trimethylpentane 3.96
    2-methyltetrahydrofuran 82.16
    n-hexyl acetate 82.93
    isooctane 2.59
    2-(2-butoxyethoxy)ethanol 90.11
    sec-butyl acetate 53.12
    tert-butyl acetate 65.11
    decalin 7.27
    glycerin 44.88
    diglyme 169.87
    acrylic acid 94.54
    isopropyl myristate 30.26
    n-butyric acid 99.68
    acetyl acetate 97.69
    di(2-ethylhexyl) phthalate 44.93
    ethyl propionate 70.64
    nitromethane 257.97
    1,2-diethoxyethane 68.14
    benzonitrile 72.2
    trioctyl phosphate 34.14
    1-bromopropane 93.14
    gamma-valerolactone 292.25
    n-decanol 18.3
    triethyl phosphate 50.79
    4-methyl-2-pentanol 16.46
    propionitrile 38.18
    vinylene carbonate 178.19
    1,1,2-trichlorotrifluoroethane 306.59
    DMS 92.1
    cumene 22.42
    2-octanol 18.5
    2-hexanone 65.38
    octyl acetate 42.38
    limonene 35.02
    1,2-dimethoxyethane 101.95
    ethyl orthosilicate 45.71
    tributyl phosphate 41.85
    diacetone alcohol 77.37
    N,N-dimethylaniline 55.34
    acrylonitrile 64.59
    aniline 48.75
    1,3-propanediol 32.45
    bromobenzene 95.99
    dibromomethane 286.19
    1,1,2,2-tetrachloroethane 436.37
    2-methyl-cyclohexyl acetate 70.15
    tetrabutyl urea 58.47
    diisobutyl methanol 18.88
    2-phenylethanol 58.35
    styrene 29.48
    dioctyl adipate 59.24
    dimethyl sulfate 161.09
    ethyl butyrate 66.85
    methyl lactate 88.28
    butyl lactate 86.13
    diethyl carbonate 51.64
    propanediol butyl ether 66.24
    triethyl orthoformate 57.9
    p-tert-butyltoluene 25.49
    methyl 4-tert-butylbenzoate 111.11
    morpholine 88.6
    tert-butylamine 14.28
    n-dodecanol 13.41
    dimethoxymethane 107.8
    ethylene carbonate 130.86
    cyrene 120.79
    2-ethoxyethyl acetate 120.51
    2-ethylhexyl acetate 56.34
    1,2,4-trichlorobenzene 149.92
    4-methylpyridine 100.15
    dibutyl ether 28.53
    2,6-dimethyl-4-heptanol 18.88
    DEF 135.29
    dimethyl isosorbide 159.43
    tetrachloroethylene 269.67
    eugenol 93.93
    triacetin 133.66
    span 80 77.25
    1,4-butanediol 23.23
    1,1-dichloroethane 176.23
    2-methyl-1-pentanol 29.25
    methyl formate 95.33
    2-methyl-1-butanol 25.24
    n-decane 4.76
    butyronitrile 38.78
    3,7-dimethyl-1-octanol 24.38
    1-chlorooctane 24.28
    1-chlorotetradecane 8.82
    n-nonane 4.42
    undecane 3.4
    tert-butylcyclohexane 5.48
    cyclooctane 4.69
    cyclopentanol 49.89
    tetrahydropyran 53.85
    tert-amyl methyl ether 31.57
    2,5,8-trioxanonane 115.9
    1-hexene 16.96
    2-isopropoxyethanol 56.14
    2,2,2-trifluoroethanol 95.52
    methyl butyrate 92.04

    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