Uric Acid

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  • Identifiers

    CAS number
    69-93-2

    Molecular formula
    C5H4N4O3

    SMILES
    C12=C(NC(=O)N1)NC(=O)NC2=O

  • Odor profile

    Odorless 70.56%
    Burnt 30.73%
    Bitter 21.84%
    Pungent 21.34%
    Nutty 16.63%
    Cooked 16.36%
    Sharp 14.78%
    Sour 13.83%
    Musty 13.71%
    Aromatic 12.39%

    Scent© AI

  • Properties

    XLogP3-AA
    -1.9

    Molecular weight
    168.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    634°C

    Melting point expt.

    • Greater than 300 °C
    • > 300 °C

    Flash point est.
    338.45 ˚C

    Solubility expt.

    • 60 mg/L (at 20 °C)
    • 0.06 mg/mL

  • Synonyms

    • uric acid
    • 69-93-2
    • urate
    • Lithic acid
    • 2,6,8-trioxypurine
    • 8-hydroxyxanthine
    • 2,6,8-trihydroxypurine
    • 7,9-Dihydro-1H-purine-2,6,8(3H)-trione
    • 2,6,8-Trioxopurine
    • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
    • 1H-Purine-2,6,8-triol
    • Purine-2,6,8(1H,3H,9H)-trione
    • trioxopurine
    • Uricum acidum
    • 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
    • NSC 3975
    • AI3-15432
    • Idelalisib metabolite m54
    • NSC-3975
    • EINECS 200-720-7
    • MFCD00005712
    • DTXSID3042508
    • UNII-268B43MJ25
    • CHEBI:17775
    • 1H-purine-2,6,8(3H,7H,9H)-trione
    • CHEMBL792
    • 268B43MJ25
    • 9H-purine-2,6,8-triol
    • DTXCID1022508
    • CHEBI:46823
    • 2,6-dihydroxy-7,9-dihydropurin-8-one
    • NCGC00181032-01
    • 8-Hydroxy-3,9-Dihydro-1h-Purine-2,6-Dione
    • 6,8-Dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate
    • Acid, Uric
    • URC
    • Lithate
    • hypoxanthinediol
    • uric acids
    • uric-acid
    • 2,8-Trioxopurine
    • 2,8-Trioxypurine
    • 8HX
    • Uric acid (8CI)
    • 2,8-Trihydroxypurine
    • Uric Acid1547
    • Uric acid (Standard)
    • 1l5s
    • 2,6,8-trihydroxypurin
    • Purine-2,6,8-triol
    • 1H-Purine-2,8-triol
    • Uric acid, 99.0%
    • URIC ACID [MI]
    • bmse000126
    • H-Purine-2,6,8-triol
    • SCHEMBL7933
    • 7H-purine-2,6,8-triol
    • URICUM ACIDUM [HPUS]
    • GTPL4731
    • SCHEMBL15777793
    • SCHEMBL17081907
    • CHEBI:27226
    • CHEBI:46811
    • CHEBI:46814
    • CHEBI:46817
    • CHEBI:62589
    • HY-B2130R
    • NSC3975
    • Uric acid, >=99%, crystalline
    • HMS3604N17
    • BCP28980
    • HY-B2130
    • Purine-2,8(1H,3H,9H)-trione
    • Tox21_113563
    • Uric acid; 2,6,8-Trihydroxypurine
    • BDBM50325824
    • s3955
    • STL185577
    • AKOS000118731
    • Purine-3,6,8(1H,3H,9H)-trione
    • CCG-339700
    • DB08844
    • FH09609
    • Uric acid, NIST(R) SRM(R) 913b
    • CAS-69-93-2
    • purine-2,6,8-(1H,3H,9H)-trione
    • Uric acid, BioXtra, >=99% (HPLC)
    • AS-56119
    • SY057305
    • 6-hydroxy-1H-purine-2,8(7H,9H)-dione
    • DB-055359
    • 2,6,8-Trioxypurine;2,6,8-Trihydroxypurine
    • 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one
    • CS-0020287
    • NS00009325
    • U0018
    • 1H-Purine-2,8(3H)-trione, 7,9-dihydro-
    • EN300-19268
    • 7,9-Dihydro-3H-purine-2,6,8-trione(Urate)
    • C00366
    • SBI-0633468.0002
    • 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine
    • 7,9-Dihydro-3H-purine-2,6,8-trione(uric acid)
    • Q105522
    • SR-01000945208
    • SR-01000945208-1
    • 565FF3AF-8AFA-4EE9-9FC4-6B119784A5BB
    • BRD-K01295354-001-02-8
    • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI)
    • Z104473370
    • 200-720-7
    • InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.05
    methanol 0.19
    isopropanol 0.04
    water 0.25
    ethyl acetate 0.03
    n-propanol 0.05
    acetone 0.04
    n-butanol 0.05
    acetonitrile 0.05
    DMF 4.25
    toluene 0.0
    isobutanol 0.04
    1,4-dioxane 0.11
    methyl acetate 0.09
    THF 0.38
    2-butanone 0.09
    n-pentanol 0.04
    sec-butanol 0.05
    n-hexane 0.0
    ethylene glycol 0.66
    NMP 8.64
    cyclohexane 0.0
    DMSO 11.48
    n-butyl acetate 0.11
    n-octanol 0.03
    chloroform 0.0
    n-propyl acetate 0.08
    acetic acid 0.13
    dichloromethane 0.01
    cyclohexanone 0.11
    propylene glycol 0.61
    isopropyl acetate 0.02
    DMAc 5.87
    2-ethoxyethanol 0.99
    isopentanol 0.05
    n-heptane 0.0
    ethyl formate 0.13
    1,2-dichloroethane 0.01
    n-hexanol 0.04
    2-methoxyethanol 2.21
    isobutyl acetate 0.04
    tetrachloromethane 0.0
    n-pentyl acetate 0.06
    transcutol 1.26
    n-heptanol 0.04
    ethylbenzene 0.0
    MIBK 0.05
    2-propoxyethanol 1.15
    tert-butanol 0.05
    MTBE 0.02
    2-butoxyethanol 0.7
    propionic acid 0.19
    o-xylene 0.01
    formic acid 0.94
    diethyl ether 0.01
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.24
    n-octane 0.0
    formamide 1.36
    cyclopentanone 0.37
    2-pentanone 0.05
    anisole 0.03
    cyclopentyl methyl ether 0.05
    gamma-butyrolactone 0.9
    1-methoxy-2-propanol 1.43
    pyridine 0.06
    3-pentanone 0.05
    furfural 1.43
    n-dodecane 0.0
    diethylene glycol 2.49
    diisopropyl ether 0.0
    tert-amyl alcohol 0.06
    acetylacetone 0.08
    n-hexadecane 0.0
    acetophenone 0.09
    methyl propionate 0.11
    isopentyl acetate 0.11
    trichloroethylene 0.01
    n-nonanol 0.04
    cyclohexanol 0.03
    benzyl alcohol 0.06
    2-ethylhexanol 0.04
    isooctanol 0.04
    dipropyl ether 0.06
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.59
    propylene carbonate 0.36
    n-methylformamide 1.24
    2-pentanol 0.02
    n-pentane 0.0
    1-propoxy-2-propanol 0.81
    1-methoxy-2-propyl acetate 0.31
    2-(2-methoxypropoxy) propanol 1.41
    mesitylene 0.0
    ε-caprolactone 0.22
    p-cymene 0.01
    epichlorohydrin 0.28
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.53
    morpholine-4-carbaldehyde 4.43
    sulfolane 4.38
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.1
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.15
    sec-butyl acetate 0.04
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 3.72
    diglyme 2.26
    acrylic acid 0.39
    isopropyl myristate 0.04
    n-butyric acid 0.1
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.1
    nitromethane 0.56
    1,2-diethoxyethane 0.1
    benzonitrile 0.05
    trioctyl phosphate 0.11
    1-bromopropane 0.0
    gamma-valerolactone 1.54
    n-decanol 0.03
    triethyl phosphate 0.23
    4-methyl-2-pentanol 0.02
    propionitrile 0.06
    vinylene carbonate 0.25
    1,1,2-trichlorotrifluoroethane 0.98
    DMS 0.13
    cumene 0.01
    2-octanol 0.03
    2-hexanone 0.1
    octyl acetate 0.06
    limonene 0.01
    1,2-dimethoxyethane 1.58
    ethyl orthosilicate 0.16
    tributyl phosphate 0.14
    diacetone alcohol 0.27
    N,N-dimethylaniline 0.06
    acrylonitrile 0.14
    aniline 0.02
    1,3-propanediol 0.53
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.12
    tetrabutyl urea 0.3
    diisobutyl methanol 0.03
    2-phenylethanol 0.06
    styrene 0.0
    dioctyl adipate 0.12
    dimethyl sulfate 1.28
    ethyl butyrate 0.13
    methyl lactate 1.03
    butyl lactate 0.4
    diethyl carbonate 0.15
    propanediol butyl ether 0.9
    triethyl orthoformate 0.2
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.29
    morpholine 0.26
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 0.69
    ethylene carbonate 0.16
    cyrene 2.25
    2-ethoxyethyl acetate 0.12
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.06
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.31
    dimethyl isosorbide 2.28
    tetrachloroethylene 0.01
    eugenol 0.67
    triacetin 0.23
    span 80 0.54
    1,4-butanediol 0.29
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.05
    methyl formate 0.62
    2-methyl-1-butanol 0.05
    n-decane 0.0
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.08
    tetrahydropyran 0.03
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 2.13
    1-hexene 0.01
    2-isopropoxyethanol 0.4
    2,2,2-trifluoroethanol 0.32
    methyl butyrate 0.19

    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