Pidobenzone

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  • Identifiers

    CAS number
    138506-45-3

    Molecular formula
    C11H11NO4

    SMILES
    C1CC(=O)N[C@@H]1C(=O)OC2=CC=C(C=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.08%
    Sweet 33.71%
    Nutty 27.41%
    Vanilla 25.29%
    Burnt 23.6%
    Phenolic 23.06%
    Spicy 22.42%
    Bitter 21.88%
    Savory 20.83%
    Caramellic 20.46%

     

    Flavor
    Bitter 77.36%
    Odorless 38.72%
    Bland 26.16%
    Very mild 23.37%
    Sweet-like 21.39%
    Nitrile 19.73%
    Lovage 19.52%
    Cedarleaf 19.51%
    Taco 19.05%
    Mild 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.43 (weak base)

    Molecular weight
    221.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    535°C

    Flash point

    • 222.82 ˚C est.

  • Synonyms

    • Pidobenzone
    • 138506-45-3
    • pidobenzona
    • K5 lipogel
    • X7D2GSX1C1
    • DTXSID20160695
    • pidobenzonum
    • RefChem:174209
    • DTXCID9083186
    • L-Proline, 5-oxo-, 4-hydroxyphenyl ester
    • Pidobenzone [INN]
    • (4-hydroxyphenyl) (2S)-5-oxopyrrolidine-2-carboxylate
    • 5-oxo-L-Proline 4-Hydroxyphenyl Ester
    • 5-Oxo-L-proline,p-hydroxyphenyl ester
    • UNII-X7D2GSX1C1
    • PIDOBENZONE [WHO-DD]
    • 4-hydroxyphenyl (2S)-5-oxopyrrolidine-2-carboxylate
    • orb2308710
    • SCHEMBL1231301
    • CHEMBL2106955
    • 4-Hydroxyphenyl 5-oxo-L-prolinate
    • HY-W710954
    • 5-Oxo-L-proline, p-hydroxyphenyl ester
    • 4-HYDROXYPHENOL (L)-PYROGLUTAMATE
    • NS00125252
    • H62848
    • Q27293642
    • 138506-45-3

  • Applications

    Pidobenzone (CAS 138506-45-3) is primarily used as an intermediate in organic synthesis and as a fragrance-related ingredient in perfumery, where it can serve as an odorant or fixative. It may be employed in cosmetics/personal care formulations for fragrance components, and in household cleaning products to contribute scent profiles. In industrial manufacturing, it is evaluated as a specialty additive or processing aid for coatings and inks, and in polymers/plastics as a processing aid or stabilizer. Its documented applications encompass perfumery, cosmetics, household products, coatings/inks, and polymer processing, with use limited by regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.17
    methanol 133.68
    isopropanol 36.55
    water 3.01
    ethyl acetate 21.46
    n-propanol 29.89
    acetone 97.13
    n-butanol 26.9
    acetonitrile 47.88
    DMF 242.41
    toluene 1.12
    isobutanol 17.98
    1,4-dioxane 67.98
    methyl acetate 49.07
    THF 107.59
    2-butanone 56.6
    n-pentanol 26.0
    sec-butanol 30.63
    n-hexane 0.06
    ethylene glycol 30.26
    NMP 49.49
    cyclohexane 0.07
    DMSO 404.07
    n-butyl acetate 18.76
    n-octanol 9.31
    chloroform 4.64
    n-propyl acetate 27.32
    acetic acid 98.06
    dichloromethane 8.06
    cyclohexanone 36.7
    propylene glycol 25.67
    isopropyl acetate 13.25
    DMAc 366.49
    2-ethoxyethanol 179.92
    isopentanol 31.95
    n-heptane 0.1
    ethyl formate 45.97
    1,2-dichloroethane 7.09
    n-hexanol 11.99
    2-methoxyethanol 240.01
    isobutyl acetate 11.81
    tetrachloromethane 0.34
    n-pentyl acetate 10.19
    transcutol 213.05
    n-heptanol 8.9
    ethylbenzene 2.09
    MIBK 19.07
    2-propoxyethanol 74.25
    tert-butanol 56.08
    MTBE 16.53
    2-butoxyethanol 40.24
    propionic acid 26.99
    o-xylene 1.7
    formic acid 132.18
    diethyl ether 6.68
    m-xylene 1.11
    p-xylene 3.85
    chlorobenzene 2.52
    dimethyl carbonate 22.17
    n-octane 0.1
    formamide 296.11
    cyclopentanone 49.89
    2-pentanone 25.93
    anisole 25.78
    cyclopentyl methyl ether 8.64
    gamma-butyrolactone 65.02
    1-methoxy-2-propanol 106.26
    pyridine 29.91
    3-pentanone 10.97
    furfural 91.02
    n-dodecane 0.22
    diethylene glycol 100.61
    diisopropyl ether 1.54
    tert-amyl alcohol 42.97
    acetylacetone 46.86
    n-hexadecane 0.24
    acetophenone 31.35
    methyl propionate 23.02
    isopentyl acetate 20.63
    trichloroethylene 15.35
    n-nonanol 9.74
    cyclohexanol 9.88
    benzyl alcohol 32.99
    2-ethylhexanol 6.85
    isooctanol 8.07
    dipropyl ether 4.47
    1,2-dichlorobenzene 3.52
    ethyl lactate 26.77
    propylene carbonate 34.1
    n-methylformamide 122.68
    2-pentanol 11.56
    n-pentane 0.03
    1-propoxy-2-propanol 37.92
    1-methoxy-2-propyl acetate 31.42
    2-(2-methoxypropoxy) propanol 57.48
    mesitylene 0.9
    ε-caprolactone 37.4
    p-cymene 1.96
    epichlorohydrin 81.92
    1,1,1-trichloroethane 2.56
    2-aminoethanol 48.81
    morpholine-4-carbaldehyde 128.11
    sulfolane 69.36
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 27.5
    n-hexyl acetate 16.01
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 72.16
    sec-butyl acetate 14.1
    tert-butyl acetate 17.99
    decalin 0.16
    glycerin 63.21
    diglyme 137.84
    acrylic acid 31.08
    isopropyl myristate 7.41
    n-butyric acid 35.59
    acetyl acetate 15.13
    di(2-ethylhexyl) phthalate 12.67
    ethyl propionate 18.09
    nitromethane 219.92
    1,2-diethoxyethane 33.21
    benzonitrile 22.1
    trioctyl phosphate 7.92
    1-bromopropane 1.77
    gamma-valerolactone 117.85
    n-decanol 7.88
    triethyl phosphate 12.07
    4-methyl-2-pentanol 9.3
    propionitrile 20.46
    vinylene carbonate 33.07
    1,1,2-trichlorotrifluoroethane 64.65
    DMS 19.28
    cumene 1.92
    2-octanol 5.84
    2-hexanone 28.96
    octyl acetate 10.61
    limonene 2.11
    1,2-dimethoxyethane 225.78
    ethyl orthosilicate 10.59
    tributyl phosphate 10.2
    diacetone alcohol 53.37
    N,N-dimethylaniline 15.54
    acrylonitrile 38.99
    aniline 8.4
    1,3-propanediol 81.22
    bromobenzene 1.59
    dibromomethane 2.87
    1,1,2,2-tetrachloroethane 11.52
    2-methyl-cyclohexyl acetate 14.79
    tetrabutyl urea 18.39
    diisobutyl methanol 5.03
    2-phenylethanol 23.23
    styrene 2.75
    dioctyl adipate 15.03
    dimethyl sulfate 42.05
    ethyl butyrate 16.29
    methyl lactate 32.65
    butyl lactate 17.24
    diethyl carbonate 14.57
    propanediol butyl ether 43.32
    triethyl orthoformate 14.07
    p-tert-butyltoluene 1.8
    methyl 4-tert-butylbenzoate 24.16
    morpholine 92.31
    tert-butylamine 9.55
    n-dodecanol 6.07
    dimethoxymethane 103.43
    ethylene carbonate 26.73
    cyrene 47.84
    2-ethoxyethyl acetate 24.52
    2-ethylhexyl acetate 12.5
    1,2,4-trichlorobenzene 5.5
    4-methylpyridine 26.8
    dibutyl ether 7.91
    2,6-dimethyl-4-heptanol 5.03
    DEF 48.93
    dimethyl isosorbide 63.5
    tetrachloroethylene 5.53
    eugenol 32.98
    triacetin 26.3
    span 80 29.06
    1,4-butanediol 41.77
    1,1-dichloroethane 3.02
    2-methyl-1-pentanol 28.77
    methyl formate 95.97
    2-methyl-1-butanol 26.63
    n-decane 0.28
    butyronitrile 21.93
    3,7-dimethyl-1-octanol 10.63
    1-chlorooctane 1.69
    1-chlorotetradecane 1.04
    n-nonane 0.2
    undecane 0.24
    tert-butylcyclohexane 0.16
    cyclooctane 0.04
    cyclopentanol 11.26
    tetrahydropyran 16.4
    tert-amyl methyl ether 13.9
    2,5,8-trioxanonane 103.99
    1-hexene 0.67
    2-isopropoxyethanol 87.13
    2,2,2-trifluoroethanol 36.46
    methyl butyrate 34.35

    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