2-(4-hydroxyphenyl)benzoic Acid

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  • Identifiers

    CAS number
    67526-82-3

    Molecular formula
    C13H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 69.86%
    Balsamic 45.33%
    Medicinal 39.44%
    Animal 38.37%
    Sweet 35.73%
    Honey 32.87%
    Aromatic 32.21%
    Floral 31.94%
    Nutty 31.16%
    Odorless 30.83%

     

    Flavor
    Phenolic 50.02%
    Bitter 45.74%
    Balsam 39.27%
    Mild 37.43%
    Nutty 34.77%
    Odorless 32.36%
    Honey 30.8%
    Faint 30.74%
    Balsamic 27.82%
    Wintergreen 27.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.88 (weak base)

    Molecular weight
    214.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Melting point expt.

    • 206.5 °C

    Flash point

    • 211.82 ˚C est.

  • Synonyms

    • 67526-82-3
    • 2-(4-hydroxyphenyl)benzoic Acid
    • 7J5DCJ5DQB
    • 4'-Hydroxy(1,1'-biphenyl)-2-carboxylic acid
    • DTXSID00374733
    • (1,1'-Biphenyl)-2-carboxylic acid, 4'-hydroxy-
    • 4'-Hydroxy[1,1'-biphenyl]-2-carboxylic acid
    • RefChem:457805
    • DTXCID80325763
    • 4'-Hydroxy-biphenyl-2-carboxylic acid
    • 4'-Hydroxy-[1,1'-biphenyl]-2-carboxylic acid
    • MFCD04117368
    • 4'-hydroxy-2-biphenylcarboxylic acid
    • 4'-hydroxy biphenyl-2-carboxylic acid
    • UNII-7J5DCJ5DQB
    • 4'-Hydroxy-[1,1'-biphenyl]-2-carboxylicacid
    • SCHEMBL2294732
    • CHEMBL4092743
    • 4'-hydroxybiphenylcarboxylic acid
    • Benzoesaure-[oxy-3-phenyl]-ester
    • CHEBI:168959
    • AKOS004116920
    • FS-5405
    • 4'-hydroxy-1,1'-biphenyl-2-carboxylic acid
    • G82899
    • F020774
    • Z1508918161
    • 67526-82-3

  • Applications

    2-(4-hydroxyphenyl)benzoic acid, CAS 67526-82-3, is a versatile organic building block used as an intermediate in the synthesis of pharmaceuticals and agrochemicals; it also serves as a precursor for dyes and pigments used in coatings and inks, and provides a bulky biaryl framework useful for the preparation of functional polymers and plastics. Additionally, because of its carboxyl and phenolic groups, it can be converted into derivatives for fragrance and personal care applications, and is explored as a scaffold for specialty materials in coatings, electronics-related materials, and analytical reagents; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 86.62
    methanol 113.98
    isopropanol 47.63
    water 0.08
    ethyl acetate 34.25
    n-propanol 46.15
    acetone 117.33
    n-butanol 35.94
    acetonitrile 17.17
    DMF 341.82
    toluene 10.59
    isobutanol 22.11
    1,4-dioxane 82.3
    methyl acetate 36.38
    THF 303.59
    2-butanone 61.1
    n-pentanol 33.08
    sec-butanol 26.53
    n-hexane 0.07
    ethylene glycol 39.12
    NMP 86.61
    cyclohexane 0.05
    DMSO 237.31
    n-butyl acetate 33.35
    n-octanol 24.15
    chloroform 1.44
    n-propyl acetate 28.7
    acetic acid 29.22
    dichloromethane 1.98
    cyclohexanone 48.04
    propylene glycol 41.54
    isopropyl acetate 35.4
    DMAc 211.68
    2-ethoxyethanol 103.91
    isopentanol 35.36
    n-heptane 0.35
    ethyl formate 19.17
    1,2-dichloroethane 6.13
    n-hexanol 37.88
    2-methoxyethanol 198.89
    isobutyl acetate 18.68
    tetrachloromethane 0.44
    n-pentyl acetate 27.79
    transcutol 174.48
    n-heptanol 30.54
    ethylbenzene 7.98
    MIBK 49.23
    2-propoxyethanol 116.27
    tert-butanol 86.78
    MTBE 32.17
    2-butoxyethanol 69.71
    propionic acid 21.57
    o-xylene 8.85
    formic acid 28.59
    diethyl ether 19.77
    m-xylene 12.5
    p-xylene 7.93
    chlorobenzene 5.43
    dimethyl carbonate 35.11
    n-octane 0.4
    formamide 104.1
    cyclopentanone 115.91
    2-pentanone 61.65
    anisole 38.5
    cyclopentyl methyl ether 45.42
    gamma-butyrolactone 104.14
    1-methoxy-2-propanol 153.26
    pyridine 32.14
    3-pentanone 23.59
    furfural 61.1
    n-dodecane 1.15
    diethylene glycol 112.8
    diisopropyl ether 8.09
    tert-amyl alcohol 47.15
    acetylacetone 79.65
    n-hexadecane 1.28
    acetophenone 33.77
    methyl propionate 41.02
    isopentyl acetate 34.1
    trichloroethylene 15.11
    n-nonanol 24.35
    cyclohexanol 15.07
    benzyl alcohol 33.65
    2-ethylhexanol 20.48
    isooctanol 25.8
    dipropyl ether 20.91
    1,2-dichlorobenzene 6.54
    ethyl lactate 29.9
    propylene carbonate 37.45
    n-methylformamide 94.39
    2-pentanol 25.42
    n-pentane 0.06
    1-propoxy-2-propanol 76.54
    1-methoxy-2-propyl acetate 62.62
    2-(2-methoxypropoxy) propanol 60.29
    mesitylene 7.46
    ε-caprolactone 40.5
    p-cymene 8.73
    epichlorohydrin 117.9
    1,1,1-trichloroethane 3.93
    2-aminoethanol 62.08
    morpholine-4-carbaldehyde 100.8
    sulfolane 124.08
    2,2,4-trimethylpentane 0.42
    2-methyltetrahydrofuran 73.22
    n-hexyl acetate 34.23
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 89.89
    sec-butyl acetate 23.44
    tert-butyl acetate 56.63
    decalin 0.51
    glycerin 78.96
    diglyme 132.25
    acrylic acid 21.26
    isopropyl myristate 19.77
    n-butyric acid 31.92
    acetyl acetate 19.14
    di(2-ethylhexyl) phthalate 18.15
    ethyl propionate 26.26
    nitromethane 74.4
    1,2-diethoxyethane 55.21
    benzonitrile 19.21
    trioctyl phosphate 15.49
    1-bromopropane 1.79
    gamma-valerolactone 116.02
    n-decanol 20.4
    triethyl phosphate 16.94
    4-methyl-2-pentanol 23.42
    propionitrile 19.05
    vinylene carbonate 25.15
    1,1,2-trichlorotrifluoroethane 57.53
    DMS 27.76
    cumene 7.42
    2-octanol 19.76
    2-hexanone 38.22
    octyl acetate 25.51
    limonene 9.79
    1,2-dimethoxyethane 126.81
    ethyl orthosilicate 16.56
    tributyl phosphate 15.88
    diacetone alcohol 101.26
    N,N-dimethylaniline 28.06
    acrylonitrile 28.39
    aniline 19.9
    1,3-propanediol 83.65
    bromobenzene 4.03
    dibromomethane 0.89
    1,1,2,2-tetrachloroethane 13.97
    2-methyl-cyclohexyl acetate 24.62
    tetrabutyl urea 27.06
    diisobutyl methanol 18.01
    2-phenylethanol 38.46
    styrene 7.75
    dioctyl adipate 26.31
    dimethyl sulfate 57.93
    ethyl butyrate 24.79
    methyl lactate 45.67
    butyl lactate 29.25
    diethyl carbonate 16.95
    propanediol butyl ether 52.57
    triethyl orthoformate 21.22
    p-tert-butyltoluene 9.53
    methyl 4-tert-butylbenzoate 46.61
    morpholine 108.34
    tert-butylamine 23.72
    n-dodecanol 16.02
    dimethoxymethane 176.16
    ethylene carbonate 20.44
    cyrene 57.16
    2-ethoxyethyl acetate 45.48
    2-ethylhexyl acetate 22.51
    1,2,4-trichlorobenzene 10.41
    4-methylpyridine 32.17
    dibutyl ether 20.63
    2,6-dimethyl-4-heptanol 18.01
    DEF 51.83
    dimethyl isosorbide 95.92
    tetrachloroethylene 6.9
    eugenol 52.41
    triacetin 35.48
    span 80 43.27
    1,4-butanediol 30.32
    1,1-dichloroethane 3.15
    2-methyl-1-pentanol 29.67
    methyl formate 58.05
    2-methyl-1-butanol 24.74
    n-decane 1.26
    butyronitrile 21.45
    3,7-dimethyl-1-octanol 22.28
    1-chlorooctane 8.03
    1-chlorotetradecane 4.61
    n-nonane 0.81
    undecane 1.23
    tert-butylcyclohexane 0.9
    cyclooctane 0.07
    cyclopentanol 25.11
    tetrahydropyran 32.56
    tert-amyl methyl ether 26.99
    2,5,8-trioxanonane 104.49
    1-hexene 1.21
    2-isopropoxyethanol 67.02
    2,2,2-trifluoroethanol 12.4
    methyl butyrate 31.2

    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