Zinc Phenolsulfonate

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  • Identifiers

    CAS number
    127-82-2

    Molecular formula
    C12H10O8S2Zn

    SMILES
    C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Odorless 91.28%
    Bitter 21.84%
    Burnt 19.37%
    Phenolic 18.5%
    Savory 15.75%
    Roasted 15.16%
    Cooked 14.92%
    Medicinal 12.41%
    Sulfurous 12.26%
    Sharp 12.01%

    Scent© AI

  • Properties

    Molecular weight
    411.7 g/mol

    Boiling point

    • 248 °F at 760 mmHg (decomposes) (USCG, 1999)

    Flash point est.
    231.82 ˚C

    Solubility expt.

    • Solubility: 62.5 g/100 cc cold water; 250 g/100 cc water at 100 °C; 55.6 g/100 cc alcohol at 25 °C /Octahydrate/

  • Synonyms

    • ZINC PHENOLSULFONATE
    • 127-82-2
    • Zinc sulfocarbolate
    • Phenozin
    • Zinc phenol sulfonate
    • Zinc p-phenol sulfonate
    • Zinc p-phenolsulfonate
    • Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1)
    • zinc;4-hydroxybenzenesulfonate
    • zinc phenolsulphonate
    • p-Hydroxybenzenesulfonic acid zinc salt
    • HSDB 2551
    • EINECS 204-867-8
    • Zinc bis(4-hydroxybenzenesulphonate)
    • UNII-4O71YT5YB5
    • EPA Pesticide Chemical Code 089002
    • 4O71YT5YB5
    • Zinc phenolsulfonate [NF]
    • ZINC P-PHENOLSULPHONATE
    • ZINC PARAPHENOLSULFONATE
    • ZINC PARAPHENOLSULPHONATE
    • DTXSID1059571
    • ZINC PHENOLSULFONATE [HSDB]
    • ZINC PHENOLSULFONATE [VANDF]
    • ZINC PHENOLSULFONATE [MART.]
    • ZINC PHENOLSULFONATE [WHO-DD]
    • Universal ZPS
    • Zinc sulfophenate
    • 4-HYDROXYBENZENESULFONIC ACID (2:1), ZINC SALT
    • Caswell No. 921A
    • ZINC PHENOLSULFONATE (MART.)
    • Zinc-1,4-phenolsulfonate
    • 1-Phenol-4-sulfonic acid zinc salt
    • Zinc p-hydroxybenzenesulfonate
    • Zinc 1-phenol-4-sulfonate(p)
    • 4-Hydroxybenzenesulfonic acid (2:1)
    • ((4-hydroxybenzenesulfonyl)oxy)zincio 4-hydroxybenzene-1-sulfonate
    • [(4-hydroxybenzenesulfonyl)oxy]zincio 4-hydroxybenzene-1-sulfonate
    • p-Phenolsulfonic acid zinc salt
    • zinc phenolsulfate
    • Benzenesulfonic acid, p-hydroxy-, zinc salt (2:1)
    • Zinc pphenolsulfonate
    • Caswell No 921A
    • Zinc phenolsulfic acid
    • Zinc pphenol sulfonate
    • Zinc1,4phenolsulfonate
    • Zinc 1phenol4sulfonate(p)
    • Zinc phydroxybenzenesulfonate
    • SCHEMBL32134
    • 1Phenol4sulfonic acid zinc salt
    • DTXCID9033890
    • Zinc bis(4hydroxybenzenesulphonate)
    • ZINC PHENOLSULFONATE [INCI]
    • ZINC P-PHENOLSULFONATE [MI]
    • 4Hydroxybenzenesulfonic acid (2:1)
    • pHydroxybenzenesulfonic acid zinc salt
    • AKOS015893041
    • NS00079118
    • zinc(2+) ion bis(4-hydroxybenzene-1-sulfonate)
    • Benzenesulfonic acid, 4hydroxy, zinc salt (2:1)
    • Benzenesulfonic acid, phydroxy, zinc salt (2:1)
    • EN300-18536580
    • Q27260279
    • 51136-97-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.73
    methanol 30.53
    isopropanol 4.1
    water 3.84
    ethyl acetate 2.04
    n-propanol 4.34
    acetone 11.51
    n-butanol 2.56
    acetonitrile 4.07
    DMF 186.57
    toluene 0.31
    isobutanol 1.59
    1,4-dioxane 10.7
    methyl acetate 4.07
    THF 20.34
    2-butanone 5.43
    n-pentanol 1.5
    sec-butanol 2.52
    n-hexane 0.04
    ethylene glycol 31.67
    NMP 153.66
    cyclohexane 0.09
    DMSO 198.1
    n-butyl acetate 2.76
    n-octanol 2.44
    chloroform 0.44
    n-propyl acetate 1.62
    acetic acid 15.57
    dichloromethane 1.24
    cyclohexanone 4.85
    propylene glycol 20.45
    isopropyl acetate 1.47
    DMAc 119.41
    2-ethoxyethanol 26.65
    isopentanol 1.39
    n-heptane 0.19
    ethyl formate 5.09
    1,2-dichloroethane 1.7
    n-hexanol 2.01
    2-methoxyethanol 91.24
    isobutyl acetate 0.41
    tetrachloromethane 0.09
    n-pentyl acetate 3.51
    transcutol 61.22
    n-heptanol 2.87
    ethylbenzene 0.2
    MIBK 1.46
    2-propoxyethanol 28.98
    tert-butanol 2.94
    MTBE 0.81
    2-butoxyethanol 19.03
    propionic acid 8.33
    o-xylene 0.4
    formic acid 58.22
    diethyl ether 1.7
    m-xylene 0.29
    p-xylene 0.27
    chlorobenzene 0.26
    dimethyl carbonate 9.07
    n-octane 0.1
    formamide 121.68
    cyclopentanone 16.41
    2-pentanone 3.15
    anisole 1.52
    cyclopentyl methyl ether 2.48
    gamma-butyrolactone 30.77
    1-methoxy-2-propanol 50.85
    pyridine 7.39
    3-pentanone 2.49
    furfural 40.33
    n-dodecane 0.08
    diethylene glycol 51.93
    diisopropyl ether 0.31
    tert-amyl alcohol 2.27
    acetylacetone 8.68
    n-hexadecane 0.09
    acetophenone 3.29
    methyl propionate 5.55
    isopentyl acetate 1.66
    trichloroethylene 2.12
    n-nonanol 2.46
    cyclohexanol 1.35
    benzyl alcohol 3.15
    2-ethylhexanol 0.99
    isooctanol 1.63
    dipropyl ether 2.09
    1,2-dichlorobenzene 0.4
    ethyl lactate 7.86
    propylene carbonate 8.63
    n-methylformamide 63.28
    2-pentanol 1.33
    n-pentane 0.08
    1-propoxy-2-propanol 17.87
    1-methoxy-2-propyl acetate 8.85
    2-(2-methoxypropoxy) propanol 18.07
    mesitylene 0.24
    ε-caprolactone 6.84
    p-cymene 0.48
    epichlorohydrin 15.05
    1,1,1-trichloroethane 0.21
    2-aminoethanol 25.5
    morpholine-4-carbaldehyde 102.93
    sulfolane 72.41
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.61
    n-hexyl acetate 3.98
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 25.65
    sec-butyl acetate 0.69
    tert-butyl acetate 1.83
    decalin 0.03
    glycerin 75.58
    diglyme 47.78
    acrylic acid 15.29
    isopropyl myristate 1.46
    n-butyric acid 4.83
    acetyl acetate 1.81
    di(2-ethylhexyl) phthalate 3.1
    ethyl propionate 1.74
    nitromethane 43.96
    1,2-diethoxyethane 6.16
    benzonitrile 1.74
    trioctyl phosphate 2.28
    1-bromopropane 0.35
    gamma-valerolactone 50.41
    n-decanol 1.74
    triethyl phosphate 2.19
    4-methyl-2-pentanol 0.63
    propionitrile 2.15
    vinylene carbonate 8.32
    1,1,2-trichlorotrifluoroethane 32.52
    DMS 5.94
    cumene 0.16
    2-octanol 1.54
    2-hexanone 1.57
    octyl acetate 2.52
    limonene 0.62
    1,2-dimethoxyethane 25.25
    ethyl orthosilicate 1.81
    tributyl phosphate 2.19
    diacetone alcohol 9.51
    N,N-dimethylaniline 2.0
    acrylonitrile 6.44
    aniline 1.81
    1,3-propanediol 22.29
    bromobenzene 0.15
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 2.1
    2-methyl-cyclohexyl acetate 1.78
    tetrabutyl urea 5.96
    diisobutyl methanol 0.78
    2-phenylethanol 3.59
    styrene 0.23
    dioctyl adipate 3.49
    dimethyl sulfate 27.11
    ethyl butyrate 2.38
    methyl lactate 27.8
    butyl lactate 9.04
    diethyl carbonate 1.86
    propanediol butyl ether 21.82
    triethyl orthoformate 2.84
    p-tert-butyltoluene 0.51
    methyl 4-tert-butylbenzoate 10.22
    morpholine 17.75
    tert-butylamine 0.92
    n-dodecanol 1.19
    dimethoxymethane 48.11
    ethylene carbonate 4.62
    cyrene 24.33
    2-ethoxyethyl acetate 9.02
    2-ethylhexyl acetate 1.17
    1,2,4-trichlorobenzene 0.72
    4-methylpyridine 3.14
    dibutyl ether 1.3
    2,6-dimethyl-4-heptanol 0.78
    DEF 14.51
    dimethyl isosorbide 29.23
    tetrachloroethylene 1.52
    eugenol 14.61
    triacetin 10.09
    span 80 14.6
    1,4-butanediol 8.11
    1,1-dichloroethane 0.37
    2-methyl-1-pentanol 0.8
    methyl formate 37.41
    2-methyl-1-butanol 1.36
    n-decane 0.14
    butyronitrile 1.44
    3,7-dimethyl-1-octanol 1.32
    1-chlorooctane 0.48
    1-chlorotetradecane 0.22
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 3.5
    tetrahydropyran 2.15
    tert-amyl methyl ether 0.98
    2,5,8-trioxanonane 36.11
    1-hexene 0.14
    2-isopropoxyethanol 9.31
    2,2,2-trifluoroethanol 13.91
    methyl butyrate 2.54

    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