p-Hydroxyphenyl benzoate

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  • Identifiers

    CAS number
    2444-19-1

    Molecular formula
    C13H10O3

    SMILES
    C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 67.83%
    Balsamic 57.36%
    Floral 40.04%
    Medicinal 38.72%
    Sweet 38.64%
    Aromatic 36.21%
    Woody 33.78%
    Spicy 33.39%
    Animal 32.79%
    Fruity 32.43%

     

    Flavor
    Bitter 54.27%
    Balsam 45.89%
    Sweet 40.85%
    Phenolic 33.98%
    Wintergreen 32.74%
    Balsamic 30.75%
    Faint 29.73%
    Powdery 29.21%
    Herbal 28.58%
    Mild 26.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.85 (weak base)

    Molecular weight
    214.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 171.84 ˚C est.

  • Synonyms

    • p-Hydroxyphenyl benzoate
    • RefChem:858088
    • 4-Hydroxyphenyl benzoate
    • 2444-19-1
    • Hydroquinone monobenzoate
    • (4-hydroxyphenyl) benzoate
    • 4-benzoyloxyphenol
    • 1,4-Diphenol, 1-benzoate
    • MFCD00053304
    • ZCY7O225CP
    • 1,4-Benzenediol, monobenzoate
    • NSC-48470
    • BENZOIC ACID 4-HYDROXYPHENYL ESTER
    • 4-HYDROXYPHENYLBENZOATE
    • UNII-ZCY7O225CP
    • quinol monobenzoate
    • EINECS 219-479-4
    • 4-Hydroxyphenyl benzoate #
    • Oprea1_309607
    • Oprea1_334063
    • SCHEMBL281981
    • orb1737607
    • DTXSID9051905
    • SCHEMBL28324591
    • NSC48470
    • Benzoic acid 4-hydroxy-phenyl ester
    • NSC 48470
    • AKOS007930252
    • FH15607
    • SY045439
    • NS00027657
    • ST50409081
    • EN300-85512
    • G77683
    • SR-01000357277
    • SR-01000357277-1
    • Q27295326
    • 2444-19-1

  • Applications

    p-Hydroxyphenyl benzoate is primarily used as an intermediate in organic synthesis and as a precursor for aryl-ester derivatives; in polymers/plastics and coatings/inks it can serve as a building block or functional additive; in cosmetics and personal care as well as in perfumery/fragrance sectors it may be used as a fragrance material or sensory modifier and can act as a stabilizer for formulations; in industrial manufacturing it is evaluated as a chemical intermediate for specialty chemicals and, in pharmaceuticals, as a potential intermediate for the synthesis of active compounds. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.46
    methanol 99.18
    isopropanol 39.06
    water 0.04
    ethyl acetate 125.38
    n-propanol 60.69
    acetone 20.84
    n-butanol 51.31
    acetonitrile 102.98
    DMF 31.02
    toluene 19.17
    isobutanol 28.94
    1,4-dioxane 168.88
    methyl acetate 128.78
    THF 163.48
    2-butanone 116.72
    n-pentanol 40.95
    sec-butanol 74.85
    n-hexane 0.21
    ethylene glycol 10.87
    NMP 11.63
    cyclohexane 0.43
    DMSO 88.01
    n-butyl acetate 65.34
    n-octanol 22.09
    chloroform 45.23
    n-propyl acetate 63.2
    acetic acid 54.71
    dichloromethane 42.82
    cyclohexanone 40.94
    propylene glycol 24.57
    isopropyl acetate 56.99
    DMAc 139.37
    2-ethoxyethanol 121.53
    isopentanol 48.19
    n-heptane 0.52
    ethyl formate 44.83
    1,2-dichloroethane 45.02
    n-hexanol 35.78
    2-methoxyethanol 189.7
    isobutyl acetate 35.37
    tetrachloromethane 1.48
    n-pentyl acetate 31.53
    transcutol 579.21
    n-heptanol 20.0
    ethylbenzene 24.63
    MIBK 50.18
    2-propoxyethanol 102.64
    tert-butanol 62.52
    MTBE 78.56
    2-butoxyethanol 61.91
    propionic acid 39.62
    o-xylene 15.77
    formic acid 20.8
    diethyl ether 59.22
    m-xylene 11.59
    p-xylene 19.56
    chlorobenzene 15.15
    dimethyl carbonate 30.84
    n-octane 0.48
    formamide 80.56
    cyclopentanone 32.23
    2-pentanone 55.98
    anisole 98.82
    cyclopentyl methyl ether 28.69
    gamma-butyrolactone 51.12
    1-methoxy-2-propanol 123.37
    pyridine 112.64
    3-pentanone 45.62
    furfural 82.57
    n-dodecane 1.35
    diethylene glycol 72.67
    diisopropyl ether 11.45
    tert-amyl alcohol 93.48
    acetylacetone 75.36
    n-hexadecane 1.55
    acetophenone 69.49
    methyl propionate 71.45
    isopentyl acetate 70.43
    trichloroethylene 98.89
    n-nonanol 23.73
    cyclohexanol 24.71
    benzyl alcohol 50.21
    2-ethylhexanol 25.51
    isooctanol 18.48
    dipropyl ether 27.47
    1,2-dichlorobenzene 19.75
    ethyl lactate 31.17
    propylene carbonate 38.03
    n-methylformamide 36.99
    2-pentanol 33.78
    n-pentane 0.19
    1-propoxy-2-propanol 67.28
    1-methoxy-2-propyl acetate 82.23
    2-(2-methoxypropoxy) propanol 107.5
    mesitylene 7.43
    ε-caprolactone 61.88
    p-cymene 13.31
    epichlorohydrin 156.47
    1,1,1-trichloroethane 20.59
    2-aminoethanol 34.87
    morpholine-4-carbaldehyde 73.43
    sulfolane 41.11
    2,2,4-trimethylpentane 1.08
    2-methyltetrahydrofuran 75.52
    n-hexyl acetate 49.34
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 144.01
    sec-butyl acetate 56.78
    tert-butyl acetate 74.41
    decalin 1.33
    glycerin 37.54
    diglyme 272.55
    acrylic acid 29.86
    isopropyl myristate 28.1
    n-butyric acid 54.49
    acetyl acetate 62.57
    di(2-ethylhexyl) phthalate 22.37
    ethyl propionate 65.09
    nitromethane 120.48
    1,2-diethoxyethane 138.14
    benzonitrile 50.8
    trioctyl phosphate 14.62
    1-bromopropane 19.57
    gamma-valerolactone 83.71
    n-decanol 18.57
    triethyl phosphate 28.17
    4-methyl-2-pentanol 23.67
    propionitrile 82.09
    vinylene carbonate 43.0
    1,1,2-trichlorotrifluoroethane 73.48
    DMS 55.07
    cumene 16.19
    2-octanol 14.07
    2-hexanone 62.77
    octyl acetate 31.56
    limonene 13.54
    1,2-dimethoxyethane 215.31
    ethyl orthosilicate 26.86
    tributyl phosphate 22.24
    diacetone alcohol 91.38
    N,N-dimethylaniline 44.02
    acrylonitrile 98.98
    aniline 29.77
    1,3-propanediol 66.89
    bromobenzene 12.96
    dibromomethane 20.55
    1,1,2,2-tetrachloroethane 76.39
    2-methyl-cyclohexyl acetate 40.94
    tetrabutyl urea 30.65
    diisobutyl methanol 19.15
    2-phenylethanol 49.71
    styrene 28.36
    dioctyl adipate 42.28
    dimethyl sulfate 32.27
    ethyl butyrate 56.31
    methyl lactate 38.11
    butyl lactate 31.61
    diethyl carbonate 44.85
    propanediol butyl ether 54.49
    triethyl orthoformate 39.05
    p-tert-butyltoluene 11.96
    methyl 4-tert-butylbenzoate 54.03
    morpholine 195.16
    tert-butylamine 24.0
    n-dodecanol 14.74
    dimethoxymethane 96.39
    ethylene carbonate 30.73
    cyrene 41.81
    2-ethoxyethyl acetate 75.82
    2-ethylhexyl acetate 48.2
    1,2,4-trichlorobenzene 27.22
    4-methylpyridine 58.73
    dibutyl ether 42.8
    2,6-dimethyl-4-heptanol 19.15
    DEF 64.07
    dimethyl isosorbide 121.89
    tetrachloroethylene 31.67
    eugenol 61.96
    triacetin 60.03
    span 80 53.68
    1,4-butanediol 17.93
    1,1-dichloroethane 21.29
    2-methyl-1-pentanol 50.58
    methyl formate 23.39
    2-methyl-1-butanol 50.62
    n-decane 1.65
    butyronitrile 58.87
    3,7-dimethyl-1-octanol 31.55
    1-chlorooctane 11.2
    1-chlorotetradecane 5.95
    n-nonane 1.09
    undecane 1.49
    tert-butylcyclohexane 1.75
    cyclooctane 0.2
    cyclopentanol 15.32
    tetrahydropyran 87.57
    tert-amyl methyl ether 72.91
    2,5,8-trioxanonane 199.19
    1-hexene 4.98
    2-isopropoxyethanol 73.26
    2,2,2-trifluoroethanol 13.15
    methyl butyrate 69.12

    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