Phenylparaben

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  • Identifiers

    CAS number
    17696-62-7

    Molecular formula
    C13H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 69.25%
    Balsamic 55.47%
    Floral 48.13%
    Sweet 43.47%
    Fruity 41.36%
    Medicinal 41.04%
    Woody 38.06%
    Aromatic 36.53%
    Animal 34.81%
    Honey 33.42%

     

    Flavor
    Bitter 50.23%
    Balsam 45.9%
    Sweet 37.77%
    Phenolic 36.86%
    Wintergreen 32.59%
    Herbal 30.63%
    Balsamic 29.73%
    Faint 28.62%
    Honey 27.9%
    Powdery 27.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.06 (weak base)

    Molecular weight
    214.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Flash point

    • 169.7 ˚C est.

  • Synonyms

    • Phenyl 4-hydroxybenzoate
    • 17696-62-7
    • Phenylparaben
    • Benzoic acid, 4-hydroxy-, phenyl ester
    • Phenyl p-hydroxybenzoate
    • 4-(Phenoxycarbonyl)phenol
    • B15A4L4Y1J
    • DTXSID4047882
    • p-hydroxybenzoic acid phenyl ester
    • EINECS 241-698-9
    • DTXCID0027858
    • BENZOIC ACID, P-HYDROXY-, PHENYL ESTER
    • RefChem:861811
    • PHENYLPARABEN [INCI]
    • 241-698-9
    • 4-Hydroxybenzoic Acid Phenyl Ester
    • MFCD00016467
    • Phenyl-4-hydroxybenzoate
    • 4-Hydroxy-benzoic acid phenyl ester
    • 26220-23-5
    • Benzoic acid,4-hydroxy-,phenyl ester
    • CAS-17696-62-7
    • Phenyl-p-hydroxybenzoate
    • UNII-B15A4L4Y1J
    • phenyl paraben
    • Oprea1_695260
    • SCHEMBL455541
    • SCHEMBL6363793
    • CHEMBL3184274
    • MSK2545
    • 4-Hydroxybenzoic acid-phenyl ester
    • Tox21_200545
    • Tox21_303589
    • SBB071649
    • Phenyl 4-hydroxybenzoate, AldrichCPR
    • AKOS015856569
    • FP62003
    • FS-4051
    • NCGC00248691-01
    • NCGC00257341-01
    • NCGC00258099-01
    • SY050348
    • H0218
    • NS00013977
    • Phenyl 4-hydroxybenzoate, analytical standard
    • ST45026729
    • D90820
    • 4-Hydroxybenzoic Acid Phenyl Ester;Phenylparaben
    • F018964
    • Q27274245
    • 4-(Phenoxycarbonyl)phenol; 4-Hydroxybenzoic Acid Phenyl Ester; Phenyl 4-Hydroxybenzoate; Phenyl p-Hydroxybenzoatep-Hydroxybenzoic Acid Phenyl Ester
    • 17696-62-7

  • Applications

    Phenylparaben is a preservative used in cosmetics and personal care products to limit microbial growth; it is also evaluated for use as a preservative in certain topical pharmaceutical preparations. In household cleaning and other consumer products, it may be employed to extend shelf life and inhibit contamination. In industrial chemistry, it can serve as an intermediate in organic synthesis and as a component of ester preparations. Subject to local regulations, it may be considered for use as a preservative in some food processing applications where permitted.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.63
    methanol 148.27
    isopropanol 57.51
    water 0.05
    ethyl acetate 161.03
    n-propanol 81.25
    acetone 64.25
    n-butanol 63.1
    acetonitrile 115.23
    DMF 67.06
    toluene 15.04
    isobutanol 37.47
    1,4-dioxane 247.13
    methyl acetate 170.51
    THF 294.43
    2-butanone 180.63
    n-pentanol 51.17
    sec-butanol 97.12
    n-hexane 0.25
    ethylene glycol 19.29
    NMP 37.23
    cyclohexane 0.4
    DMSO 196.36
    n-butyl acetate 84.11
    n-octanol 25.52
    chloroform 33.31
    n-propyl acetate 83.13
    acetic acid 110.14
    dichloromethane 39.7
    cyclohexanone 91.32
    propylene glycol 51.96
    isopropyl acetate 90.14
    DMAc 176.41
    2-ethoxyethanol 135.26
    isopentanol 60.2
    n-heptane 0.61
    ethyl formate 64.11
    1,2-dichloroethane 47.55
    n-hexanol 37.17
    2-methoxyethanol 265.6
    isobutyl acetate 48.86
    tetrachloromethane 1.06
    n-pentyl acetate 39.88
    transcutol 1006.1
    n-heptanol 22.98
    ethylbenzene 14.62
    MIBK 75.54
    2-propoxyethanol 127.68
    tert-butanol 80.63
    MTBE 83.25
    2-butoxyethanol 74.28
    propionic acid 75.47
    o-xylene 11.25
    formic acid 41.26
    diethyl ether 77.39
    m-xylene 10.17
    p-xylene 14.78
    chlorobenzene 18.55
    dimethyl carbonate 45.46
    n-octane 0.42
    formamide 152.64
    cyclopentanone 87.18
    2-pentanone 98.05
    anisole 83.26
    cyclopentyl methyl ether 50.53
    gamma-butyrolactone 138.62
    1-methoxy-2-propanol 202.93
    pyridine 130.55
    3-pentanone 60.15
    furfural 131.71
    n-dodecane 1.46
    diethylene glycol 98.62
    diisopropyl ether 17.1
    tert-amyl alcohol 100.44
    acetylacetone 152.85
    n-hexadecane 1.69
    acetophenone 73.69
    methyl propionate 98.73
    isopentyl acetate 80.72
    trichloroethylene 103.06
    n-nonanol 26.99
    cyclohexanol 34.84
    benzyl alcohol 57.73
    2-ethylhexanol 28.73
    isooctanol 22.48
    dipropyl ether 37.67
    1,2-dichlorobenzene 20.18
    ethyl lactate 49.68
    propylene carbonate 76.99
    n-methylformamide 68.37
    2-pentanol 50.24
    n-pentane 0.19
    1-propoxy-2-propanol 91.88
    1-methoxy-2-propyl acetate 110.01
    2-(2-methoxypropoxy) propanol 137.08
    mesitylene 7.74
    ε-caprolactone 113.65
    p-cymene 11.74
    epichlorohydrin 240.76
    1,1,1-trichloroethane 18.27
    2-aminoethanol 58.35
    morpholine-4-carbaldehyde 139.4
    sulfolane 126.96
    2,2,4-trimethylpentane 1.18
    2-methyltetrahydrofuran 123.48
    n-hexyl acetate 66.04
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 195.61
    sec-butyl acetate 71.07
    tert-butyl acetate 104.48
    decalin 1.2
    glycerin 78.61
    diglyme 360.9
    acrylic acid 62.14
    isopropyl myristate 35.06
    n-butyric acid 96.18
    acetyl acetate 84.3
    di(2-ethylhexyl) phthalate 28.48
    ethyl propionate 75.73
    nitromethane 261.7
    1,2-diethoxyethane 174.58
    benzonitrile 54.31
    trioctyl phosphate 19.27
    1-bromopropane 14.28
    gamma-valerolactone 184.8
    n-decanol 21.61
    triethyl phosphate 33.76
    4-methyl-2-pentanol 30.74
    propionitrile 75.91
    vinylene carbonate 74.49
    1,1,2-trichlorotrifluoroethane 124.92
    DMS 74.81
    cumene 11.24
    2-octanol 15.53
    2-hexanone 78.98
    octyl acetate 38.38
    limonene 15.17
    1,2-dimethoxyethane 252.62
    ethyl orthosilicate 31.45
    tributyl phosphate 29.13
    diacetone alcohol 138.56
    N,N-dimethylaniline 41.17
    acrylonitrile 105.37
    aniline 35.46
    1,3-propanediol 102.94
    bromobenzene 14.9
    dibromomethane 15.63
    1,1,2,2-tetrachloroethane 79.19
    2-methyl-cyclohexyl acetate 50.34
    tetrabutyl urea 38.02
    diisobutyl methanol 22.83
    2-phenylethanol 51.86
    styrene 20.03
    dioctyl adipate 57.55
    dimethyl sulfate 62.68
    ethyl butyrate 68.45
    methyl lactate 69.88
    butyl lactate 48.89
    diethyl carbonate 50.27
    propanediol butyl ether 86.71
    triethyl orthoformate 50.23
    p-tert-butyltoluene 11.46
    methyl 4-tert-butylbenzoate 66.98
    morpholine 268.42
    tert-butylamine 27.73
    n-dodecanol 17.05
    dimethoxymethane 148.55
    ethylene carbonate 54.37
    cyrene 73.83
    2-ethoxyethyl acetate 96.49
    2-ethylhexyl acetate 54.99
    1,2,4-trichlorobenzene 30.09
    4-methylpyridine 68.42
    dibutyl ether 53.68
    2,6-dimethyl-4-heptanol 22.83
    DEF 92.81
    dimethyl isosorbide 159.99
    tetrachloroethylene 30.18
    eugenol 73.63
    triacetin 98.22
    span 80 80.31
    1,4-butanediol 24.21
    1,1-dichloroethane 21.2
    2-methyl-1-pentanol 56.21
    methyl formate 53.61
    2-methyl-1-butanol 57.55
    n-decane 1.75
    butyronitrile 65.05
    3,7-dimethyl-1-octanol 33.7
    1-chlorooctane 11.44
    1-chlorotetradecane 6.38
    n-nonane 1.08
    undecane 1.62
    tert-butylcyclohexane 1.64
    cyclooctane 0.22
    cyclopentanol 28.63
    tetrahydropyran 122.95
    tert-amyl methyl ether 70.86
    2,5,8-trioxanonane 256.78
    1-hexene 4.05
    2-isopropoxyethanol 86.13
    2,2,2-trifluoroethanol 26.03
    methyl butyrate 90.7

    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