Sulisobenzone

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  • Identifiers

    CAS number
    4065-45-6

    Molecular formula
    C14H12O6S

    SMILES
    COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 74.61%
    Bitter 24.8%
    Phenolic 20.73%
    Burnt 20.25%
    Balsamic 20.22%
    Cooked 18.5%
    Savory 17.33%
    Aromatic 17.17%
    Milky 16.15%
    Roasted 16.07%

     

    Flavor
    Bitter 85.05%
    Odorless 32.83%
    Bland 21.29%
    Nitrile 20.86%
    Lovage 19.64%
    Cedarleaf 18.98%
    Urine 18.97%
    Very strong 18.87%
    Sweet-like 18.71%
    Bread crust 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.81 (neutral)

    Molecular weight
    308.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    513°C

    Melting point expt.

    • 145
    • 145 °C

    Flash point

    • 219.07 ˚C est.

    Solubility expt.

    • 10 microgram/mL
    • In water, 2.5X10+5 mg/L at 25 °C
    • 1 g dissolves in 2 mL methanol, 3.3 mL ethanol, 4 mL water, 100 mL ethyl acetate.

  • Synonyms

    • Sulisobenzone
    • 4065-45-6
    • 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
    • Benzophenone-4
    • 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid
    • Sungard
    • Uval
    • Benzophenone 4
    • Seesorb 101S
    • Syntase 230
    • Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-
    • Spectra-Sorb UV 284
    • Sulisobenzona
    • Uvinul MS 40
    • Sulisobenzonum
    • Sulfisobenzone
    • Uvinuc ms 40
    • MS 40
    • Uvinul MS-40
    • Uvasorb s 5
    • Escalol 577
    • Viosorb 111
    • NSC-60584
    • Uvinul d 5030
    • DTXSID2042436
    • 3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid
    • 1W6L629B4K
    • 2-Benzoyl-5-methoxy-1-phenol-4-sulfonic acid
    • NSC-760350
    • 5-Benzoyl-4-hydroxy-2-methoxybenzene sulfonic acid
    • DTXCID0022436
    • NSC60584
    • 5-benzoyl-4-hydroxy-2-methoxy-besylic acid
    • BP-4 benzophenone
    • anti-frizz sheets
    • RefChem:56074
    • 223-772-2
    • 2-HYDROXY-4-METHOXY-5-SULFOBENZOPHENONE
    • MFCD00024962
    • HMBS
    • 1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-
    • 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid
    • Uval sodium salt
    • NCGC00159404-02
    • NCGC00159404-04
    • 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid hydrate
    • 4-hydroxy-2-methoxy-5-(phenylcarbonyl)benzenesulfonic acid
    • Uvinul MS 40 sodium salt
    • Cyasorb UV 284 sodium salt
    • Sulisobenzonum [INN-Latin]
    • Sulisobenzona [INN-Spanish]
    • CAS-4065-45-6
    • NSC654266
    • HSDB 7422
    • Uvinul MS-40 substanz
    • EINECS 223-772-2
    • 2-Hydoxy-4-methoxy-5-sulfobenzophenone
    • BRN 2889165
    • UNII-1W6L629B4K
    • Sulisobenzone [USAN:USP:INN]
    • 2-Hydroxy-4-Methoxy-5-sulfonylbenzophenone(BP-4)
    • Sungard (TN)
    • Uval (*sodium salt*)
    • Sulisobenzone (Standard)
    • UVINUL MS40
    • CBMicro_016354
    • Sulisobenzone (USP/INN)
    • SULISOBENZONE [MI]
    • EC 223-772-2
    • SULISOBENZONE [INN]
    • 5-Benzoyl-4-hydroxy-2-methoxybenzolsulfonsaeure
    • Spectra-Sorb U.V. 284
    • SULISOBENZONE [HSDB]
    • SULISOBENZONE [USAN]
    • SCHEMBL16330
    • MLS004734662
    • SULFISOBENZONE [VANDF]
    • SULISOBENZONE [MART.]
    • Sulisobenzone; Benzophenone 4
    • SULISOBENZONE [USP-RS]
    • SULISOBENZONE [WHO-DD]
    • 5-Benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid
    • orb1310381
    • Cyasorb UV 284 (Salt/Mix)
    • CHEMBL2059073
    • SCHEMBL29360128
    • HY-B1162R
    • MSK3412
    • CHEBI:135312
    • Sulisobenzone, analytical standard
    • Uvinul MS 40 (*sodium salt*)
    • HMS5083O08
    • ALBB-025816
    • Cyasorb UV 284 (*sodium salt*)
    • HY-B1162
    • Tox21_111639
    • Tox21_202332
    • Tox21_303469
    • s4652
    • SBB002961
    • SULISOBENZONE [USP MONOGRAPH]
    • AKOS015895600
    • MSK3412-1000A
    • Tox21_111639_1
    • CCG-267557
    • CS-4610
    • DB11185
    • FH33991
    • Sulisobenzone (USAN) (*sodium salt*)
    • NCGC00159404-03
    • NCGC00159404-05
    • NCGC00257488-01
    • NCGC00259881-01
    • AC-19869
    • AS-12605
    • FH179520
    • SMR001262265
    • ST055633
    • SY036839
    • DB-049626
    • H0466
    • NS00009581
    • D05964
    • F11240
    • SBI-0016590.0002
    • F238749
    • Q7636301
    • 4065-45-6

  • Applications

    Sulisobenzone is primarily used as a UV filter in cosmetics and personal care products, where its water-soluble nature facilitates inclusion in water-based formulations such as sunscreens and lotions to provide UV protection. It is also employed as a UV stabilizer in coatings and paints to help protect substrates from sunlight-induced degradation, and may be used in inks and related formulations for UV absorption properties. In polymer systems, it can function as a UV absorber to extend the durability of plastics and films exposed to outdoor light. Its use is formulation-dependent and subject to local regulations and practical limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.66
    methanol 32.83
    isopropanol 9.14
    water 0.04
    ethyl acetate 16.83
    n-propanol 13.09
    acetone 47.05
    n-butanol 9.21
    acetonitrile 14.59
    DMF 304.38
    toluene 1.6
    isobutanol 4.76
    1,4-dioxane 19.13
    methyl acetate 15.75
    THF 136.18
    2-butanone 36.03
    n-pentanol 4.49
    sec-butanol 7.98
    n-hexane 0.05
    ethylene glycol 19.89
    NMP 225.66
    cyclohexane 0.14
    DMSO 436.66
    n-butyl acetate 8.71
    n-octanol 1.83
    chloroform 3.49
    n-propyl acetate 9.61
    acetic acid 25.23
    dichloromethane 5.23
    cyclohexanone 40.77
    propylene glycol 25.34
    isopropyl acetate 10.92
    DMAc 234.78
    2-ethoxyethanol 39.78
    isopentanol 5.56
    n-heptane 0.11
    ethyl formate 14.72
    1,2-dichloroethane 7.41
    n-hexanol 4.24
    2-methoxyethanol 139.45
    isobutyl acetate 3.18
    tetrachloromethane 0.31
    n-pentyl acetate 4.71
    transcutol 53.8
    n-heptanol 2.93
    ethylbenzene 0.94
    MIBK 12.83
    2-propoxyethanol 41.74
    tert-butanol 8.61
    MTBE 3.1
    2-butoxyethanol 15.26
    propionic acid 15.14
    o-xylene 1.45
    formic acid 36.79
    diethyl ether 5.98
    m-xylene 1.38
    p-xylene 1.02
    chlorobenzene 2.2
    dimethyl carbonate 27.46
    n-octane 0.05
    formamide 97.58
    cyclopentanone 101.58
    2-pentanone 29.18
    anisole 8.73
    cyclopentyl methyl ether 17.3
    gamma-butyrolactone 100.94
    1-methoxy-2-propanol 96.12
    pyridine 18.1
    3-pentanone 17.15
    furfural 67.82
    n-dodecane 0.07
    diethylene glycol 53.22
    diisopropyl ether 1.14
    tert-amyl alcohol 7.13
    acetylacetone 50.25
    n-hexadecane 0.08
    acetophenone 14.75
    methyl propionate 28.48
    isopentyl acetate 6.53
    trichloroethylene 15.5
    n-nonanol 2.04
    cyclohexanol 6.02
    benzyl alcohol 10.87
    2-ethylhexanol 2.54
    isooctanol 2.16
    dipropyl ether 4.45
    1,2-dichlorobenzene 2.84
    ethyl lactate 18.53
    propylene carbonate 29.29
    n-methylformamide 97.95
    2-pentanol 4.83
    n-pentane 0.07
    1-propoxy-2-propanol 25.92
    1-methoxy-2-propyl acetate 25.96
    2-(2-methoxypropoxy) propanol 22.58
    mesitylene 0.88
    ε-caprolactone 29.73
    p-cymene 1.33
    epichlorohydrin 72.52
    1,1,1-trichloroethane 2.26
    2-aminoethanol 28.65
    morpholine-4-carbaldehyde 122.36
    sulfolane 195.42
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 24.17
    n-hexyl acetate 5.66
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 23.15
    sec-butyl acetate 5.51
    tert-butyl acetate 12.3
    decalin 0.1
    glycerin 75.18
    diglyme 44.45
    acrylic acid 20.85
    isopropyl myristate 2.61
    n-butyric acid 16.97
    acetyl acetate 11.28
    di(2-ethylhexyl) phthalate 5.15
    ethyl propionate 12.44
    nitromethane 87.48
    1,2-diethoxyethane 8.62
    benzonitrile 8.06
    trioctyl phosphate 3.41
    1-bromopropane 1.93
    gamma-valerolactone 110.39
    n-decanol 1.63
    triethyl phosphate 6.84
    4-methyl-2-pentanol 2.52
    propionitrile 11.57
    vinylene carbonate 24.71
    1,1,2-trichlorotrifluoroethane 65.9
    DMS 12.17
    cumene 0.71
    2-octanol 1.45
    2-hexanone 11.27
    octyl acetate 3.89
    limonene 1.96
    1,2-dimethoxyethane 52.37
    ethyl orthosilicate 5.18
    tributyl phosphate 4.05
    diacetone alcohol 35.83
    N,N-dimethylaniline 6.57
    acrylonitrile 22.38
    aniline 7.17
    1,3-propanediol 35.33
    bromobenzene 1.47
    dibromomethane 2.28
    1,1,2,2-tetrachloroethane 12.53
    2-methyl-cyclohexyl acetate 7.51
    tetrabutyl urea 8.44
    diisobutyl methanol 1.82
    2-phenylethanol 10.73
    styrene 1.31
    dioctyl adipate 6.76
    dimethyl sulfate 67.91
    ethyl butyrate 10.06
    methyl lactate 52.69
    butyl lactate 9.87
    diethyl carbonate 7.0
    propanediol butyl ether 14.29
    triethyl orthoformate 7.66
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 15.34
    morpholine 41.94
    tert-butylamine 2.2
    n-dodecanol 1.25
    dimethoxymethane 105.75
    ethylene carbonate 16.51
    cyrene 40.83
    2-ethoxyethyl acetate 10.56
    2-ethylhexyl acetate 4.66
    1,2,4-trichlorobenzene 4.93
    4-methylpyridine 15.27
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 1.82
    DEF 46.21
    dimethyl isosorbide 43.67
    tetrachloroethylene 5.66
    eugenol 17.25
    triacetin 14.02
    span 80 13.79
    1,4-butanediol 8.33
    1,1-dichloroethane 2.82
    2-methyl-1-pentanol 3.5
    methyl formate 60.06
    2-methyl-1-butanol 5.49
    n-decane 0.11
    butyronitrile 9.52
    3,7-dimethyl-1-octanol 1.85
    1-chlorooctane 0.67
    1-chlorotetradecane 0.33
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.06
    cyclopentanol 13.38
    tetrahydropyran 11.24
    tert-amyl methyl ether 4.66
    2,5,8-trioxanonane 37.11
    1-hexene 0.37
    2-isopropoxyethanol 17.28
    2,2,2-trifluoroethanol 13.61
    methyl butyrate 16.43

    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