Allantoin

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  • Identifiers

    CAS number
    97-59-6

    Molecular formula
    C4H6N4O3

    SMILES
    C1(C(=O)NC(=O)N1)NC(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 76.04%
    Savory 22.09%
    Sweet 18.67%
    Burnt 17.91%
    Cooked 17.21%
    Pungent 16.37%
    Ethereal 16.2%
    Fishy 15.59%
    Cooling 15.16%
    Meaty 14.84%

     

    Flavor
    Bitter 63.38%
    Odorless 45.57%
    Very mild 23.31%
    Bland 20.88%
    Yeast 20.09%
    Nitrile 20.02%
    Sweet-like 19.56%
    Taco 19.05%
    Bread crust 18.8%
    Rotten 18.57%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -2.2

    pKa est.
    8.44 (weak base)

    Molecular weight
    158.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    765°C

    Melting point expt.

    • 239 °C /Racemic form/
    • MP: 230 °C (decomposes)
    • 239 °C

    Flash point

    • 230.23 ˚C est.

    Solubility expt.

    • Soluble in alcohol, methanol, pyridine
    • Soluble in ethanol, sodium hydroxide; insoluble in ethyl ether, methanol
    • Water: 0.57% (25 °C); ethanol (96%): 0.04% (25 °C); eth/water (1/1): 0.35% (25 °C); propylene glycol/water (1/1): 0.40% (25 °C); glycerol/water (1/1): 0.60% (25 °C)
    • In water, 5.26X10+3 mg/L at 25 °C
    • 5.26 mg/mL

  • Synonyms

    • allantoin
    • 97-59-6
    • 5-Ureidohydantoin
    • Glyoxyldiureide
    • 1-(2,5-dioxoimidazolidin-4-yl)urea
    • Cordianine
    • Glyoxyldiureid
    • Allantol
    • Alantan
    • Sebical
    • AVC/Dienestrolcream
    • Urea, (2,5-dioxo-4-imidazolidinyl)-
    • Psoralon
    • Septalan
    • Hydantoin, 5-ureido-
    • Cutemol emollient
    • (2,5-Dioxo-4-imidazolidinyl)urea
    • Uniderm A
    • (2,5-dioxoimidazolidin-4-yl)urea
    • Glyoxylic(acid) diureide
    • DL-Allantoin
    • Glyoxylic diureide
    • NSC 7606
    • 5-Ureido-2,4-imidazolidindion
    • Alwextin
    • Caswell No. 024
    • CCRIS 1958
    • 2,5-Dioxo-4-imidazolidinyl-urea
    • N-(2,5-Dioxo-4-imidazolidinyl)urea
    • EPA Pesticide Chemical Code 085701
    • 4-ureido-2,5-Imidazolidinedione
    • Idelalisib metabolite m1a
    • AI3-15281
    • NSC-7606
    • Fancol TOIN
    • 5-Ureidohydrantoin
    • EINECS 202-592-8
    • MFCD00005260
    • BRN 0102364
    • (+/-)-Allantoin
    • 5-Ureido-2,4-imidazolidindione
    • DTXSID3020043
    • UNII-344S277G0Z
    • CHEBI:15676
    • HSDB 7490
    • NSC7606
    • Allantoin (JAN/USP)
    • N-(2,5-dioxoimidazolidin-4-yl)urea
    • 344S277G0Z
    • 97-59-6 (racemic)
    • DTXCID0043
    • MLS000737882
    • 5377-33-3
    • Sd 101
    • Allantoin [USAN:USP:BAN:JAN]
    • EC 202-592-8
    • 5-25-15-00338 (Beilstein Handbook Reference)
    • DL-ALLANTOIN-5-13C; 1-15N
    • urea, N-(2,5-dioxo-4-imidazolidinyl)-
    • ALLANTOIN (II)
    • ALLANTOIN [II]
    • Herpecin L
    • ALLANTOIN (MART.)
    • ALLANTOIN [MART.]
    • D00121
    • ALLANTOIN (USP-RS)
    • ALLANTOIN [USP-RS]
    • ALLANTOIN (EP MONOGRAPH)
    • ALLANTOIN [EP MONOGRAPH]
    • ALLANTOIN (USP MONOGRAPH)
    • ALLANTOIN [USP MONOGRAPH]
    • Allantoin (USAN:USP:BAN:JAN)
    • C4H6N4O3
    • Allantoin [USAN:BAN]
    • SMR000528073
    • SR-01000766252
    • Alantoina
    • Scarderm
    • Teevodar
    • Purple
    • ScarEquate
    • Allantoin Cream
    • Mulberry Serum
    • Mulberry Toner
    • Chamois Glide
    • Scar Reducer
    • Sol Mouthwash
    • HealingCVS
    • Cool Melon
    • Equate Scar
    • Kenaf wet wipe
    • Polyactil N
    • Scar Cream
    • Scar Care
    • Anti Chafe Balm
    • Meijer Scar Gel
    • Mulberry Emulsion
    • Scar Gel
    • Bruise MD
    • Mederma for Kids
    • ScarCVS
    • Rite Aid Scar
    • Vitamin C Liquid
    • BL Vital Serum
    • AC Control Serum
    • BL Vital
    • BL Vital Essence
    • BL Vital Skin
    • CAS-97-59-6
    • Equate ScarTopical
    • Advanced Scar Gel
    • Bodyglide For Her
    • Prestwick_11
    • NCGC00016358-01
    • DCH Scar
    • Diabetic Wound Gel
    • QC Scar
    • Run Guard Original
    • U-max Multi BB
    • 5-ureido-Hydantoin
    • Allantoin (8CI)
    • Allantoin .4%
    • Burn-B Gone OTC
    • GMDANSU Skin
    • Run Guard Sensitive
    • Kenaf wet wipe kids
    • Allantoin 0.5%
    • Allantoin-0.5%

  • Applications

    Allantoin (CAS 97-59-6) is used in cosmetics and personal care as a skin-conditioning agent and humectant; in pharmaceutical topical formulations as an excipient providing soothing properties; as a precursor in chemical manufacturing for the synthesis of fine chemicals and active ingredients; and in research contexts as a crystallization aid or specialty reagent in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 4.76
    isopropanol 0.51
    water 13.73
    ethyl acetate 0.39
    n-propanol 0.63
    acetone 0.74
    n-butanol 0.38
    acetonitrile 0.61
    DMF 44.63
    toluene 0.07
    isobutanol 0.34
    1,4-dioxane 1.78
    methyl acetate 0.78
    THF 2.66
    2-butanone 0.58
    n-pentanol 0.27
    sec-butanol 0.37
    n-hexane 0.04
    ethylene glycol 5.19
    NMP 32.45
    cyclohexane 0.02
    DMSO 48.8
    n-butyl acetate 0.52
    n-octanol 0.2
    chloroform 0.1
    n-propyl acetate 0.45
    acetic acid 2.43
    dichloromethane 0.21
    cyclohexanone 0.94
    propylene glycol 3.5
    isopropyl acetate 0.25
    DMAc 31.37
    2-ethoxyethanol 4.11
    isopentanol 0.29
    n-heptane 0.04
    ethyl formate 1.85
    1,2-dichloroethane 0.15
    n-hexanol 0.26
    2-methoxyethanol 11.05
    isobutyl acetate 0.2
    tetrachloromethane 0.06
    n-pentyl acetate 0.29
    transcutol 2.61
    n-heptanol 0.27
    ethylbenzene 0.07
    MIBK 0.29
    2-propoxyethanol 3.97
    tert-butanol 0.45
    MTBE 0.18
    2-butoxyethanol 2.25
    propionic acid 1.44
    o-xylene 0.11
    formic acid 18.45
    diethyl ether 0.25
    m-xylene 0.07
    p-xylene 0.11
    chlorobenzene 0.04
    dimethyl carbonate 2.15
    n-octane 0.02
    formamide 18.53
    cyclopentanone 1.99
    2-pentanone 0.4
    anisole 0.28
    cyclopentyl methyl ether 0.59
    gamma-butyrolactone 4.73
    1-methoxy-2-propanol 4.9
    pyridine 0.82
    3-pentanone 0.39
    furfural 8.2
    n-dodecane 0.01
    diethylene glycol 8.65
    diisopropyl ether 0.06
    tert-amyl alcohol 0.41
    acetylacetone 0.84
    n-hexadecane 0.01
    acetophenone 0.49
    methyl propionate 0.99
    isopentyl acetate 0.4
    trichloroethylene 0.2
    n-nonanol 0.2
    cyclohexanol 0.27
    benzyl alcohol 0.4
    2-ethylhexanol 0.17
    isooctanol 0.19
    dipropyl ether 0.38
    1,2-dichlorobenzene 0.07
    ethyl lactate 1.65
    propylene carbonate 2.56
    n-methylformamide 13.42
    2-pentanol 0.18
    n-pentane 0.02
    1-propoxy-2-propanol 2.13
    1-methoxy-2-propyl acetate 1.38
    2-(2-methoxypropoxy) propanol 2.31
    mesitylene 0.06
    ε-caprolactone 1.48
    p-cymene 0.08
    epichlorohydrin 1.88
    1,1,1-trichloroethane 0.06
    2-aminoethanol 4.28
    morpholine-4-carbaldehyde 23.52
    sulfolane 12.35
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.76
    n-hexyl acetate 0.31
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.36
    sec-butyl acetate 0.21
    tert-butyl acetate 0.29
    decalin 0.02
    glycerin 13.51
    diglyme 5.5
    acrylic acid 2.55
    isopropyl myristate 0.13
    n-butyric acid 0.93
    acetyl acetate 0.36
    di(2-ethylhexyl) phthalate 0.42
    ethyl propionate 0.54
    nitromethane 7.33
    1,2-diethoxyethane 0.47
    benzonitrile 0.35
    trioctyl phosphate 0.31
    1-bromopropane 0.07
    gamma-valerolactone 8.1
    n-decanol 0.15
    triethyl phosphate 0.69
    4-methyl-2-pentanol 0.12
    propionitrile 0.46
    vinylene carbonate 2.46
    1,1,2-trichlorotrifluoroethane 5.44
    DMS 0.66
    cumene 0.06
    2-octanol 0.14
    2-hexanone 0.36
    octyl acetate 0.2
    limonene 0.09
    1,2-dimethoxyethane 6.86
    ethyl orthosilicate 0.51
    tributyl phosphate 0.36
    diacetone alcohol 1.12
    N,N-dimethylaniline 0.42
    acrylonitrile 1.06
    aniline 0.23
    1,3-propanediol 3.18
    bromobenzene 0.03
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.23
    2-methyl-cyclohexyl acetate 0.39
    tetrabutyl urea 0.79
    diisobutyl methanol 0.13
    2-phenylethanol 0.39
    styrene 0.06
    dioctyl adipate 0.32
    dimethyl sulfate 7.07
    ethyl butyrate 0.58
    methyl lactate 4.55
    butyl lactate 1.13
    diethyl carbonate 0.58
    propanediol butyl ether 2.31
    triethyl orthoformate 0.66
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.06
    morpholine 2.87
    tert-butylamine 0.16
    n-dodecanol 0.11
    dimethoxymethane 7.07
    ethylene carbonate 1.72
    cyrene 4.6
    2-ethoxyethyl acetate 0.56
    2-ethylhexyl acetate 0.31
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.71
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.13
    DEF 2.77
    dimethyl isosorbide 3.94
    tetrachloroethylene 0.19
    eugenol 1.63
    triacetin 0.75
    span 80 1.41
    1,4-butanediol 1.48
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.2
    methyl formate 9.9
    2-methyl-1-butanol 0.31
    n-decane 0.02
    butyronitrile 0.37
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.58
    tetrahydropyran 0.43
    tert-amyl methyl ether 0.24
    2,5,8-trioxanonane 4.08
    1-hexene 0.08
    2-isopropoxyethanol 1.44
    2,2,2-trifluoroethanol 3.76
    methyl butyrate 0.88

    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