Benzoic acid, 4-amino-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)

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  • Identifiers

    CAS number
    4207-42-5

    Molecular formula
    C11H13N5O5

    SMILES
    C1=CC(=CC=C1C(=O)O)N.C1(C(=O)NC(=O)N1)NC(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 42.1%
    Grape 38.84%
    Odorless 38.62%
    Floral 37.09%
    Sweet 34.25%
    Animal 34.09%
    Honey 30.49%
    Bitter 30.33%
    Powdery 27.76%
    Burnt 26.74%

     

    Flavor
    Phenolic 48.24%
    Mild 46.07%
    Odorless 42.84%
    Nutty 37.79%
    Faint 37.67%
    Sour 36.98%
    Balsam 33.88%
    Honey 32.38%
    Sweet 31.61%
    Balsamic 28.76%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.67 (weak acid)

    Molecular weight
    295.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 183.17 ˚C est.

  • Synonyms

    • 4207-42-5
    • DTXSID40884048
    • RefChem:565949
    • DTXCID601023520
    • Allantoin PABA
    • UNII-7NAA1SZ9N2
    • 7NAA1SZ9N2
    • ALPABA
    • SCHEMBL1374679
    • ALLANTOIN, P-AMINOBENZOATE
    • ALLANTOIN, MONO-P-AMINOBENZOATE
    • Q27268606
    • 4-Aminobenzoic acid--N-(2,5-dioxoimidazolidin-4-yl)urea (1/1)
    • UREA, (2,5-DIOXO-4-IMIDAZOLIDINYL)-, MONO(4-AMINOBENZOATE)
    • 4207-42-5

  • Applications

    Benzoic acid, 4-amino-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1) is a complex that combines a p-aminobenzoate moiety with an imidazolidinyl urea fragment (CAS 4207-42-5). In real-world formulations, possible applications include use as a preservative-related component in cosmetics and personal care products, leveraging the antimicrobial and formaldehyde-releasing aspects associated with imidazolidinylurea under regulated conditions; it may also be used in household cleaning products to inhibit microbial growth. Additionally, it can function as an intermediate or functional additive in industrial manufacturing for specialty chemicals and resin or polymer additive formulations; and may be evaluated as a building block or stabilizing/crosslinking component in polymer and coating technologies, including inks and paints. Other domains to consider include coatings/inks and specialty plastics formulations; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.5
    methanol 12.02
    isopropanol 4.28
    water 0.98
    ethyl acetate 1.59
    n-propanol 4.08
    acetone 8.0
    n-butanol 3.22
    acetonitrile 2.32
    DMF 44.83
    toluene 0.07
    isobutanol 2.13
    1,4-dioxane 103.51
    methyl acetate 2.29
    THF 42.29
    2-butanone 3.44
    n-pentanol 2.76
    sec-butanol 2.15
    n-hexane 0.05
    ethylene glycol 7.95
    NMP 74.85
    cyclohexane 0.05
    DMSO 47.44
    n-butyl acetate 2.29
    n-octanol 6.54
    chloroform 0.04
    n-propyl acetate 1.56
    acetic acid 21.88
    dichloromethane 0.16
    cyclohexanone 6.69
    propylene glycol 7.96
    isopropyl acetate 1.63
    DMAc 40.13
    2-ethoxyethanol 18.76
    isopentanol 2.97
    n-heptane 0.21
    ethyl formate 3.21
    1,2-dichloroethane 0.32
    n-hexanol 3.22
    2-methoxyethanol 40.95
    isobutyl acetate 0.83
    tetrachloromethane 0.03
    n-pentyl acetate 3.85
    transcutol 67.2
    n-heptanol 6.06
    ethylbenzene 0.12
    MIBK 2.16
    2-propoxyethanol 19.91
    tert-butanol 5.46
    MTBE 1.8
    2-butoxyethanol 19.79
    propionic acid 5.59
    o-xylene 0.19
    formic acid 24.46
    diethyl ether 1.74
    m-xylene 0.14
    p-xylene 0.22
    chlorobenzene 0.15
    dimethyl carbonate 2.6
    n-octane 0.12
    formamide 32.96
    cyclopentanone 17.14
    2-pentanone 2.57
    anisole 1.41
    cyclopentyl methyl ether 4.1
    gamma-butyrolactone 27.53
    1-methoxy-2-propanol 22.8
    pyridine 2.8
    3-pentanone 1.35
    furfural 19.89
    n-dodecane 0.16
    diethylene glycol 24.16
    diisopropyl ether 0.57
    tert-amyl alcohol 3.19
    acetylacetone 6.71
    n-hexadecane 0.18
    acetophenone 2.24
    methyl propionate 2.16
    isopentyl acetate 2.56
    trichloroethylene 0.31
    n-nonanol 6.4
    cyclohexanol 1.87
    benzyl alcohol 2.01
    2-ethylhexanol 2.14
    isooctanol 4.41
    dipropyl ether 2.43
    1,2-dichlorobenzene 0.27
    ethyl lactate 3.26
    propylene carbonate 9.08
    n-methylformamide 16.52
    2-pentanol 1.49
    n-pentane 0.04
    1-propoxy-2-propanol 11.49
    1-methoxy-2-propyl acetate 6.68
    2-(2-methoxypropoxy) propanol 20.08
    mesitylene 0.22
    ε-caprolactone 9.85
    p-cymene 0.57
    epichlorohydrin 13.67
    1,1,1-trichloroethane 0.1
    2-aminoethanol 11.45
    morpholine-4-carbaldehyde 65.0
    sulfolane 41.04
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 11.15
    n-hexyl acetate 7.58
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 33.88
    sec-butyl acetate 1.05
    tert-butyl acetate 3.19
    decalin 0.07
    glycerin 22.82
    diglyme 49.39
    acrylic acid 7.72
    isopropyl myristate 2.92
    n-butyric acid 5.74
    acetyl acetate 1.9
    di(2-ethylhexyl) phthalate 5.37
    ethyl propionate 1.38
    nitromethane 29.23
    1,2-diethoxyethane 8.33
    benzonitrile 1.17
    trioctyl phosphate 4.29
    1-bromopropane 0.1
    gamma-valerolactone 43.35
    n-decanol 4.63
    triethyl phosphate 2.34
    4-methyl-2-pentanol 1.39
    propionitrile 1.03
    vinylene carbonate 5.46
    1,1,2-trichlorotrifluoroethane 11.79
    DMS 4.01
    cumene 0.22
    2-octanol 3.19
    2-hexanone 2.16
    octyl acetate 5.06
    limonene 0.88
    1,2-dimethoxyethane 24.1
    ethyl orthosilicate 2.24
    tributyl phosphate 3.22
    diacetone alcohol 9.82
    N,N-dimethylaniline 1.62
    acrylonitrile 1.95
    aniline 0.7
    1,3-propanediol 16.45
    bromobenzene 0.08
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.32
    2-methyl-cyclohexyl acetate 3.35
    tetrabutyl urea 6.89
    diisobutyl methanol 1.73
    2-phenylethanol 3.15
    styrene 0.12
    dioctyl adipate 5.88
    dimethyl sulfate 8.13
    ethyl butyrate 2.31
    methyl lactate 6.5
    butyl lactate 6.51
    diethyl carbonate 1.67
    propanediol butyl ether 22.59
    triethyl orthoformate 2.77
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 11.13
    morpholine 59.71
    tert-butylamine 1.59
    n-dodecanol 3.12
    dimethoxymethane 18.38
    ethylene carbonate 4.34
    cyrene 22.25
    2-ethoxyethyl acetate 8.4
    2-ethylhexyl acetate 1.77
    1,2,4-trichlorobenzene 0.52
    4-methylpyridine 1.49
    dibutyl ether 2.79
    2,6-dimethyl-4-heptanol 1.73
    DEF 8.14
    dimethyl isosorbide 28.5
    tetrachloroethylene 0.25
    eugenol 11.48
    triacetin 9.92
    span 80 18.39
    1,4-butanediol 5.88
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 2.32
    methyl formate 10.96
    2-methyl-1-butanol 2.17
    n-decane 0.23
    butyronitrile 1.31
    3,7-dimethyl-1-octanol 3.5
    1-chlorooctane 0.83
    1-chlorotetradecane 0.48
    n-nonane 0.18
    undecane 0.19
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 5.07
    tetrahydropyran 6.92
    tert-amyl methyl ether 1.56
    2,5,8-trioxanonane 40.09
    1-hexene 0.17
    2-isopropoxyethanol 9.48
    2,2,2-trifluoroethanol 8.26
    methyl butyrate 2.08

    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