2-Phenylbenzimidazole-5-Sulfonic Acid

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  • Identifiers

    CAS number
    27503-81-7

    Molecular formula
    C13H10N2O3S

    SMILES
    C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 74.8%
    Cooked 26.18%
    Burnt 23.46%
    Bitter 21.19%
    Sulfurous 19.38%
    Roasted 19.26%
    Savory 18.52%
    Meaty 16.89%
    Fruity 15.23%
    Nutty 14.69%

     

    Flavor
    Bitter 90.34%
    Odorless 29.99%
    Nitrile 20.91%
    Very strong 19.25%
    Bland 18.99%
    Indole 18.78%
    Moth ball 18.67%
    Bread crust 18.59%
    Taco 18.22%
    Naphthelene 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.17 (weak base)

    Molecular weight
    274.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    657°C

    Melting point expt.

    • >300, decomposes at 410

    Flash point

    • 267.38 ˚C est.

    Solubility expt.

    • Soluble

  • Synonyms

    • Ensulizole
    • 27503-81-7
    • 2-PHENYLBENZIMIDAZOLE-5-SULFONIC ACID
    • Phenylbenzimidazole sulfonic acid
    • ensulizol
    • 9YQ9DI1W42
    • DTXSID3038852
    • 1H-Benzimidazole-5-sulfonic acid-2-phenyl-
    • DTXCID1018852
    • 2-phenyl-1H-1,3-benzodiazole-6-sulfonic acid
    • ensulizolum
    • novantisol
    • RefChem:55096
    • Covergirl Outlast Stay Fabulous 3in1 Foundation
    • FULL SPECTRUM MATTE AMBITION SKIN PRIMER SPF 20
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation
    • Covergirl TruBlend Base Business Everyday Defense Primer SPF 20
    • Prada Reveal Skin Optimizing Foundation Broad Spectrum SPF 17 Sunscreen
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-805 Ivory
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-810 Classic Ivory
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-820 Creamy
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-825 Buff Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-832 Nude Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-840 Natural Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-842 Medium Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-845 Warm Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-850 Creamy Beige
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-855 Soft Honey
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-857 Golden Tan
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-860 Classic Tan
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-865 Tawny
    • Covergirl Outlast Stay Fabulous 3in1 Foundation Broad spectrum SPF 20-875 Soft Sable
    • LOreal Paris Skin Paradise Water Infused Tinted Moisturizer Broad Spectrum SPF 19 Sunscreen
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q800 Sand
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q805 Amber Glow
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q810 Classic Bronze
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q815 Brulee
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q820 Toffee
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q825 Golden Honey
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q830 Soft Copper
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q835 Mocha
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q840 Almond Glow
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q845 Warm Caramel
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q850 Sheer Espresso
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q855 Spicy Brown
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q860 Rich Mink
    • Covergirl Queen Collection All Day Flawless 3in1 Foundation Broad Spectrum SPF 20-Q865 True Ebony
    • Covergirl Vitalist Healthy Foundation with Vitamins plus Ensulizole Sunscreen Broad Spectrum SPF 20 (All shades)
    • Lancome Paris Teint Idole Ultra Care and Glow Skincare Foundation Broad Spectrum SPF 27 Sunscreen
    • phenylbenzimidazole sulphonic acid
    • 2-Phenyl-5-benzimidazolesulfonic acid
    • 2-Phenyl-1H-benzo[d]imidazole-5-sulfonic acid
    • PARSOL HS
    • 2-phenyl-3H-benzimidazole-5-sulfonic acid
    • 1H-Benzimidazole-5-sulfonic acid, 2-phenyl-
    • 1H-Benzimidazole-6-sulfonic acid, 2-phenyl-
    • 2-Phenyl-1H-benzo[d]imidazole-6-sulfonic acid
    • 2-phenyl-1H-benzimidazole-5-sulfonic acid
    • MFCD00053007
    • 2-Phenyl-1H-benzimidazole-5-sulphonic acid
    • NCGC00166262-01
    • Ensulizole [INN]
    • CAS-27503-81-7
    • UNII-9YQ9DI1W42
    • Ensulizole [USAN:USP:INN]
    • EINECS 248-502-0
    • 2-Phenylbenzimidazole-5-sulfonicacid
    • PBSA
    • Ensulizole (Standard)
    • ENSULIZOLE [MI]
    • Ensulizole (USP/INN)
    • ENSULIZOLE [USAN]
    • EC 248-502-0
    • ENSULIZOLE [MART.]
    • ENSULIZOLE [USP-RS]
    • ENSULIZOLE [WHO-DD]
    • SCHEMBL16277
    • SCHEMBL38724
    • orb1307073
    • SCHEMBL7136303
    • phenylbenzimidazole-sulfonic-acid
    • CHEMBL1987518
    • SCHEMBL29405567
    • MSK3421
    • CHEBI:135132
    • BDBM181124
    • ENSULIZOLE [USP MONOGRAPH]
    • HMS5086J06
    • HMS6018A13
    • BB_SC-02743
    • Tox21_112381
    • Tox21_200995
    • BBL028055
    • EBC-12605
    • s4419
    • SBB057883
    • STK034479
    • 2-phenylbenzimidazole-5-sulphonic acid
    • AKOS005381771
    • AKOS006029164
    • Tox21_112381_1
    • US9138393, 2-Phenyl benzimidazole
    • US9144538, 2-Phenyl benzimidazole
    • AT10303
    • CCG-245160
    • DB11115
    • FP31569
    • HY-109654R
    • 2-phenylbenz-imidazole-5-sulphonic acid
    • NCGC00166262-02
    • NCGC00166262-03
    • NCGC00258548-01
    • AC-11988
    • AS-12559
    • DB-021496
    • HY-109654
    • 2-phenyl-3H-benzimidazol-1-ium-5-sulfonate
    • 2-Phenyl-5-benzimidazolesulfonic acid, 96%
    • CS-0033783
    • NS00010386
    • P1670
    • ST50307295
    • EN300-24969
    • D10005
    • H11816
    • SBI-0653899.0001
    • 2-Phenyl-1H-1,3-benzimidazole-5-sulfonic acid
    • 27503-81-7

  • Applications

    2-Phenylbenzimidazole-5-Sulfonic Acid (CAS 27503-81-7) is primarily used as a UV absorber/UV filter in cosmetics and personal care products, leveraging its UV absorption profile and water-solubility conferred by the sulfonic group. It is also employed as a UV stabilizer in polymers, coatings, and inks to improve photostability and color retention of outdoor materials. The compound serves as an intermediate in the synthesis of other benzimidazole-based specialty chemicals, including dyes and related chemical products. In research and development settings, it may be evaluated for additional synthetic applications and formulation development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.32
    methanol 2.64
    isopropanol 1.38
    water 0.05
    ethyl acetate 1.03
    n-propanol 2.39
    acetone 2.41
    n-butanol 1.77
    acetonitrile 0.6
    DMF 68.06
    toluene 0.03
    isobutanol 1.03
    1,4-dioxane 2.89
    methyl acetate 2.0
    THF 10.49
    2-butanone 6.34
    n-pentanol 1.2
    sec-butanol 2.87
    n-hexane 0.0
    ethylene glycol 3.63
    NMP 7.33
    cyclohexane 0.0
    DMSO 11.76
    n-butyl acetate 1.61
    n-octanol 0.78
    chloroform 0.03
    n-propyl acetate 1.34
    acetic acid 3.33
    dichloromethane 0.03
    cyclohexanone 2.87
    propylene glycol 7.32
    isopropyl acetate 1.02
    DMAc 66.22
    2-ethoxyethanol 16.77
    isopentanol 1.41
    n-heptane 0.01
    ethyl formate 1.57
    1,2-dichloroethane 0.06
    n-hexanol 1.06
    2-methoxyethanol 44.86
    isobutyl acetate 0.57
    tetrachloromethane 0.01
    n-pentyl acetate 2.15
    transcutol 31.58
    n-heptanol 1.49
    ethylbenzene 0.04
    MIBK 1.35
    2-propoxyethanol 14.7
    tert-butanol 1.05
    MTBE 0.43
    2-butoxyethanol 11.82
    propionic acid 2.55
    o-xylene 0.04
    formic acid 5.26
    diethyl ether 0.32
    m-xylene 0.03
    p-xylene 0.06
    chlorobenzene 0.04
    dimethyl carbonate 1.73
    n-octane 0.01
    formamide 16.18
    cyclopentanone 6.91
    2-pentanone 2.32
    anisole 0.72
    cyclopentyl methyl ether 0.49
    gamma-butyrolactone 6.39
    1-methoxy-2-propanol 27.67
    pyridine 1.65
    3-pentanone 1.22
    furfural 6.31
    n-dodecane 0.01
    diethylene glycol 16.15
    diisopropyl ether 0.07
    tert-amyl alcohol 1.92
    acetylacetone 4.46
    n-hexadecane 0.02
    acetophenone 1.57
    methyl propionate 1.74
    isopentyl acetate 1.53
    trichloroethylene 0.18
    n-nonanol 1.03
    cyclohexanol 0.59
    benzyl alcohol 1.51
    2-ethylhexanol 0.65
    isooctanol 1.18
    dipropyl ether 0.55
    1,2-dichlorobenzene 0.06
    ethyl lactate 3.35
    propylene carbonate 2.04
    n-methylformamide 13.21
    2-pentanol 0.89
    n-pentane 0.0
    1-propoxy-2-propanol 9.15
    1-methoxy-2-propyl acetate 4.18
    2-(2-methoxypropoxy) propanol 11.65
    mesitylene 0.03
    ε-caprolactone 3.93
    p-cymene 0.09
    epichlorohydrin 3.67
    1,1,1-trichloroethane 0.02
    2-aminoethanol 7.42
    morpholine-4-carbaldehyde 20.85
    sulfolane 5.54
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.66
    n-hexyl acetate 1.91
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 16.71
    sec-butyl acetate 0.93
    tert-butyl acetate 1.3
    decalin 0.0
    glycerin 20.03
    diglyme 22.79
    acrylic acid 2.79
    isopropyl myristate 1.02
    n-butyric acid 2.74
    acetyl acetate 0.61
    di(2-ethylhexyl) phthalate 1.82
    ethyl propionate 1.12
    nitromethane 8.64
    1,2-diethoxyethane 3.6
    benzonitrile 0.74
    trioctyl phosphate 1.15
    1-bromopropane 0.03
    gamma-valerolactone 20.16
    n-decanol 0.83
    triethyl phosphate 0.98
    4-methyl-2-pentanol 0.52
    propionitrile 0.76
    vinylene carbonate 1.69
    1,1,2-trichlorotrifluoroethane 6.29
    DMS 1.68
    cumene 0.04
    2-octanol 0.9
    2-hexanone 1.94
    octyl acetate 1.41
    limonene 0.11
    1,2-dimethoxyethane 17.49
    ethyl orthosilicate 0.9
    tributyl phosphate 1.26
    diacetone alcohol 6.59
    N,N-dimethylaniline 0.58
    acrylonitrile 1.67
    aniline 0.3
    1,3-propanediol 12.86
    bromobenzene 0.02
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.2
    2-methyl-cyclohexyl acetate 1.24
    tetrabutyl urea 3.3
    diisobutyl methanol 0.41
    2-phenylethanol 1.93
    styrene 0.05
    dioctyl adipate 2.06
    dimethyl sulfate 2.61
    ethyl butyrate 1.41
    methyl lactate 7.63
    butyl lactate 5.31
    diethyl carbonate 0.92
    propanediol butyl ether 12.17
    triethyl orthoformate 1.61
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 3.44
    morpholine 7.09
    tert-butylamine 0.2
    n-dodecanol 0.63
    dimethoxymethane 11.99
    ethylene carbonate 1.12
    cyrene 7.96
    2-ethoxyethyl acetate 5.07
    2-ethylhexyl acetate 0.96
    1,2,4-trichlorobenzene 0.12
    4-methylpyridine 0.75
    dibutyl ether 0.73
    2,6-dimethyl-4-heptanol 0.41
    DEF 5.5
    dimethyl isosorbide 11.22
    tetrachloroethylene 0.11
    eugenol 7.0
    triacetin 3.56
    span 80 7.07
    1,4-butanediol 3.54
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 1.21
    methyl formate 5.37
    2-methyl-1-butanol 1.61
    n-decane 0.02
    butyronitrile 0.74
    3,7-dimethyl-1-octanol 0.81
    1-chlorooctane 0.08
    1-chlorotetradecane 0.06
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.33
    tetrahydropyran 0.87
    tert-amyl methyl ether 0.63
    2,5,8-trioxanonane 17.89
    1-hexene 0.02
    2-isopropoxyethanol 7.05
    2,2,2-trifluoroethanol 1.32
    methyl butyrate 1.97

    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