Diphenyl sulfone

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  • Identifiers

    CAS number
    127-63-9

    Molecular formula
    C12H10O2S

    SMILES
    C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.11%
    Burnt 35.92%
    Sulfurous 32.49%
    Bitter 31.36%
    Pungent 28.39%
    Nutty 25.47%
    Balsamic 25.17%
    Almond 24.08%
    Cooked 23.09%
    Phenolic 21.73%

     

    Flavor
    Bitter 69.48%
    Balsam 24.29%
    Honey 21.65%
    Nitrile 21.38%
    Tar 20.23%
    Moth ball 19.99%
    Urine 19.82%
    Naphthelene 19.49%
    Tarry 19.48%
    Very strong 18.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.29 (neutral)

    Molecular weight
    218.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 192.29 ˚C est.

  • Synonyms

    • Diphenyl sulfone
    • 127-63-9
    • Phenyl sulfone
    • DIPHENYLSULFONE
    • Sulfobenzide
    • Benzene, 1,1'-sulfonylbis-
    • Diphenyl sulphone
    • Phenyl sulphone
    • benzenesulfonylbenzene
    • 1,1'-sulfonyldibenzene
    • Sulfone, diphenyl
    • 1,1'-Sulfonylbisbenzene
    • Difenylsulfon
    • Difenylsulfon [Czech]
    • Caswell No. 399D
    • NSC 6780
    • NSC 627706
    • EINECS 204-853-1
    • V25W2CFS3M
    • EPA Pesticide Chemical Code 399500
    • BRN 1910573
    • bis-(phenyl)-sulfone
    • DTXSID6041892
    • CHEBI:78360
    • AI3-00637
    • S-127
    • NSC-6780
    • NSC-627706
    • DIPHENYL SULFONE [MI]
    • DTXCID4021892
    • EC 204-853-1
    • 4-06-00-01490 (Beilstein Handbook Reference)
    • 1,1'Sulfonylbisbenzene
    • RefChem:588838
    • 204-853-1
    • InChI=1/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10
    • Sulfonyldibenzene
    • (Phenylsulfonyl)benzene
    • phenylsulfone
    • MFCD00007548
    • NSC627706
    • Benzene,1'-sulfonylbis-
    • (benzenesulfonyl)benzene
    • UNII-V25W2CFS3M
    • S-97
    • Ph-SO2-Ph
    • Diphenyl sulfone, 97%
    • 1-(phenylsulfonyl)benzene
    • SCHEMBL30255
    • SCHEMBL150811
    • SCHEMBL164409
    • SCHEMBL315684
    • SCHEMBL818508
    • CHEMBL263327
    • orb3025632
    • orb3030838
    • SCHEMBL2426543
    • SCHEMBL2889562
    • SCHEMBL5483569
    • SCHEMBL5923173
    • SCHEMBL5923176
    • SCHEMBL6661818
    • SCHEMBL7672297
    • SCHEMBL8505982
    • SCHEMBL18318350
    • Phenyl Sulfone; Diphenyl Sulfone
    • NSC6780
    • MSK25080
    • Tox21_301190
    • BDBM50492788
    • SBB056773
    • STK331804
    • AKOS005439508
    • DS-3893
    • NCGC00248325-01
    • NCGC00255088-01
    • CAS-127-63-9
    • Diphenyl sulfone, Vetec(TM) reagent grade
    • DB-041867
    • CS-0014047
    • NS00008550
    • P0231
    • ST50827810
    • E80878
    • AE-562/13465017
    • F241365
    • Diphenyl sulfone, PESTANAL(R), analytical standard
    • Q5279737
    • 127-63-9

  • Applications

    Diphenyl sulfone is used as a high-temperature solvent and processing medium in organic synthesis and polymer manufacturing; it serves as a building block or precursor in the synthesis of sulfone-containing polymers and specialty chemicals; it is employed as a component in high-temperature coatings and inks where thermal stability is valued; it can function as a heat-transfer fluid or thermal solvent in certain high-temperature industrial processes; and it is used as a processing solvent or carrier in formulation steps of chemical manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.11
    methanol 8.08
    isopropanol 14.63
    water 0.24
    ethyl acetate 99.48
    n-propanol 18.06
    acetone 131.8
    n-butanol 17.45
    acetonitrile 114.22
    DMF 492.24
    toluene 40.12
    isobutanol 13.97
    1,4-dioxane 134.25
    methyl acetate 168.34
    THF 186.8
    2-butanone 191.19
    n-pentanol 17.07
    sec-butanol 25.46
    n-hexane 2.83
    ethylene glycol 5.14
    NMP 435.25
    cyclohexane 13.69
    DMSO 97.32
    n-butyl acetate 94.88
    n-octanol 48.45
    chloroform 262.77
    n-propyl acetate 80.14
    acetic acid 37.78
    dichloromethane 171.85
    cyclohexanone 411.68
    propylene glycol 10.01
    isopropyl acetate 70.62
    DMAc 497.14
    2-ethoxyethanol 32.97
    isopentanol 17.3
    n-heptane 7.19
    ethyl formate 96.18
    1,2-dichloroethane 168.32
    n-hexanol 29.01
    2-methoxyethanol 53.62
    isobutyl acetate 45.46
    tetrachloromethane 22.31
    n-pentyl acetate 87.1
    transcutol 165.22
    n-heptanol 27.58
    ethylbenzene 35.71
    MIBK 61.68
    2-propoxyethanol 51.49
    tert-butanol 22.13
    MTBE 41.74
    2-butoxyethanol 46.31
    propionic acid 55.52
    o-xylene 42.68
    formic acid 11.87
    diethyl ether 45.48
    m-xylene 29.92
    p-xylene 44.21
    chlorobenzene 125.6
    dimethyl carbonate 81.8
    n-octane 7.79
    formamide 65.63
    cyclopentanone 411.73
    2-pentanone 114.81
    anisole 85.01
    cyclopentyl methyl ether 75.61
    gamma-butyrolactone 344.98
    1-methoxy-2-propanol 48.12
    pyridine 230.19
    3-pentanone 136.79
    furfural 318.06
    n-dodecane 7.2
    diethylene glycol 32.52
    diisopropyl ether 18.25
    tert-amyl alcohol 30.98
    acetylacetone 173.03
    n-hexadecane 8.6
    acetophenone 129.61
    methyl propionate 111.81
    isopentyl acetate 73.72
    trichloroethylene 428.61
    n-nonanol 44.81
    cyclohexanol 40.46
    benzyl alcohol 50.35
    2-ethylhexanol 29.62
    isooctanol 22.47
    dipropyl ether 38.38
    1,2-dichlorobenzene 134.06
    ethyl lactate 43.6
    propylene carbonate 199.45
    n-methylformamide 142.69
    2-pentanol 17.53
    n-pentane 2.68
    1-propoxy-2-propanol 49.67
    1-methoxy-2-propyl acetate 90.83
    2-(2-methoxypropoxy) propanol 69.68
    mesitylene 24.37
    ε-caprolactone 244.11
    p-cymene 30.95
    epichlorohydrin 246.59
    1,1,1-trichloroethane 125.26
    2-aminoethanol 11.56
    morpholine-4-carbaldehyde 314.39
    sulfolane 310.82
    2,2,4-trimethylpentane 3.74
    2-methyltetrahydrofuran 121.53
    n-hexyl acetate 123.43
    isooctane 2.27
    2-(2-butoxyethoxy)ethanol 78.35
    sec-butyl acetate 56.87
    tert-butyl acetate 72.98
    decalin 8.99
    glycerin 18.68
    diglyme 163.08
    acrylic acid 59.73
    isopropyl myristate 49.09
    n-butyric acid 60.64
    acetyl acetate 91.79
    di(2-ethylhexyl) phthalate 36.13
    ethyl propionate 74.04
    nitromethane 226.18
    1,2-diethoxyethane 86.31
    benzonitrile 153.33
    trioctyl phosphate 30.51
    1-bromopropane 59.72
    gamma-valerolactone 380.94
    n-decanol 34.25
    triethyl phosphate 45.13
    4-methyl-2-pentanol 13.56
    propionitrile 98.51
    vinylene carbonate 221.89
    1,1,2-trichlorotrifluoroethane 149.98
    DMS 129.16
    cumene 23.76
    2-octanol 30.43
    2-hexanone 97.17
    octyl acetate 61.27
    limonene 42.49
    1,2-dimethoxyethane 117.92
    ethyl orthosilicate 36.5
    tributyl phosphate 39.08
    diacetone alcohol 74.33
    N,N-dimethylaniline 55.92
    acrylonitrile 167.91
    aniline 56.31
    1,3-propanediol 18.49
    bromobenzene 111.33
    dibromomethane 115.0
    1,1,2,2-tetrachloroethane 308.43
    2-methyl-cyclohexyl acetate 63.29
    tetrabutyl urea 67.12
    diisobutyl methanol 20.71
    2-phenylethanol 60.39
    styrene 44.75
    dioctyl adipate 68.63
    dimethyl sulfate 127.89
    ethyl butyrate 77.82
    methyl lactate 63.25
    butyl lactate 68.89
    diethyl carbonate 61.39
    propanediol butyl ether 53.74
    triethyl orthoformate 52.9
    p-tert-butyltoluene 27.91
    methyl 4-tert-butylbenzoate 90.84
    morpholine 132.63
    tert-butylamine 14.19
    n-dodecanol 27.02
    dimethoxymethane 108.58
    ethylene carbonate 159.17
    cyrene 84.27
    2-ethoxyethyl acetate 110.79
    2-ethylhexyl acetate 69.64
    1,2,4-trichlorobenzene 157.45
    4-methylpyridine 194.32
    dibutyl ether 59.34
    2,6-dimethyl-4-heptanol 20.71
    DEF 199.71
    dimethyl isosorbide 141.94
    tetrachloroethylene 163.46
    eugenol 82.43
    triacetin 116.68
    span 80 60.45
    1,4-butanediol 9.35
    1,1-dichloroethane 122.47
    2-methyl-1-pentanol 19.56
    methyl formate 115.98
    2-methyl-1-butanol 18.8
    n-decane 12.25
    butyronitrile 79.42
    3,7-dimethyl-1-octanol 35.78
    1-chlorooctane 46.73
    1-chlorotetradecane 18.59
    n-nonane 11.43
    undecane 9.14
    tert-butylcyclohexane 6.12
    cyclooctane 5.67
    cyclopentanol 50.36
    tetrahydropyran 111.74
    tert-amyl methyl ether 45.09
    2,5,8-trioxanonane 117.74
    1-hexene 14.33
    2-isopropoxyethanol 28.43
    2,2,2-trifluoroethanol 37.16
    methyl butyrate 111.14

    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