Salicyluric Acid

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  • Identifiers

    CAS number
    487-54-7

    Molecular formula
    C9H9NO4

    SMILES
    C1=CC=C(C(=C1)C(=O)NCC(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 66.33%
    Savory 29.24%
    Bitter 26.2%
    Sweet 25.66%
    Burnt 21.55%
    Cooked 21.45%
    Meaty 20.56%
    Milky 19.87%
    Fruity 18.49%
    Balsamic 17.54%

     

    Flavor
    Odorless 64.66%
    Mild 41.69%
    Very mild 32.03%
    Nutty 29.86%
    Bitter 29.2%
    Faint 27.52%
    Sour 26.23%
    Bland 25.76%
    Phenolic 23.96%
    Yeast 23.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.39 (neutral)

    Molecular weight
    195.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    197°C

    Melting point expt.

    • 168 °C

    Flash point

    • 224.73 ˚C est.

  • Synonyms

    • Salicyluric acid
    • 487-54-7
    • Salicylurate
    • Salicyloylglycine
    • N-Salicyloylglycine
    • o-Hydroxyhippuric acid
    • N-(2-Hydroxybenzoyl)glycine
    • 2-Hydroxybenzoylglycine
    • 2-[(2-hydroxybenzoyl)amino]acetic acid
    • 2-[(2-hydroxyphenyl)formamido]acetic acid
    • N-(2-Hydroxybenzoyl)-glycine
    • NSC-87566
    • 5BR3P7J05U
    • DTXSID70197592
    • NSC-524135
    • CHEBI:9008
    • 2-((2-hydroxybenzoyl)amino)acetic acid
    • CHEBI:132923
    • 2-((2-hydroxyphenyl)formamido)acetic acid
    • N-(o-hydroxybenzoyl)glycine
    • RefChem:884410
    • DTXCID30120083
    • 207-661-6
    • salicylglycine
    • 2-Hydroxyhippuric acid
    • Glycine, N-(2-hydroxybenzoyl)-
    • 2-hydroxy hippuric acid
    • 2-(2-hydroxybenzamido)acetic acid
    • N-o-Hydroxybenzoylglycine
    • o-hydroxy-hippuric acid
    • (2-Hydroxybenzoyl)glycine
    • HIPPURIC ACID, o-HYDROXY-
    • MFCD00002695
    • [(2-Hydroxybenzoyl)amino]acetic acid
    • NSC 524135
    • NSC87566
    • ortho-Hydroxyhippuric acid
    • CHEMBL586
    • Salicyluric Acid (50-80-%)
    • ((2-hydroxybenzoyl)amino)acetic acid
    • o-Hydroxyhippurate
    • 2-Hydroxyhippurate
    • WLN: QV1MVR BQ
    • ortho-Hydroxyhippurate
    • Glycine, N-salicyloyl-
    • 2-Hydroxybenzoylaminoacetic acid
    • 2-[(2-hydroxyphenyl)carbonylamino]acetic acid
    • EINECS 207-661-6
    • NSC 87566
    • BRN 2213833
    • UNII-5BR3P7J05U
    • Salicylursaure
    • o-hydroxy-Hippurate
    • 2-hydroxybenzoylaminoacetate
    • Hippuric acid, 2-hydroxy-
    • NCIStruc1_000217
    • NCIStruc2_000217
    • Salicyluric acid (Standard)
    • Oprea1_189845
    • Oprea1_844373
    • 4-10-00-00172 (Beilstein Handbook Reference)
    • SCHEMBL570541
    • orb1301984
    • (2-hydroxybenzamido)acetic acid
    • SCHEMBL29935452
    • [(2-Hydroxybenzoyl)amino]acetate
    • 2-(2-hydroxybenzamido)aceticacid
    • NCI87566
    • BDBM50328021
    • CCG-36270
    • NCGC00013916
    • NSC524135
    • SBB000337
    • (2-Hydroxy-benzoylamino)-acetic acid
    • (2-hydroxybenzoyl amino)-acetic acid
    • (2-hydroxy-benzoyl amino)-acetic acid
    • AKOS000126862
    • EBC-616108
    • FH24019
    • HY-113295R
    • PS-5117
    • NCGC00013916-02
    • NCGC00097025-01
    • Salicyluric Acid; O-Hydroxyhippuric Acid
    • acetic acid, 2-(2-hydroxybenzoylamino)-
    • NCI60_041936
    • ST013863
    • o-Hydroxyhippuric acid, analytical standard
    • HY-113295
    • 2-Hydroxyhippuric acid (BZ(2-OH)-Gly-OH)
    • CS-0059539
    • NS00006840
    • C07588
    • EN300-252801
    • G12038
    • Q2214314
    • 4DD455E5-CFA8-4AFD-B0A3-267800311FA5
    • InChI=1/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13
    • 487-54-7

  • Applications

    Salicyluric Acid (CAS 487-54-7) is primarily known as a metabolite formed by the conjugation of salicylic acid with glycine. In practice, it is used in analytical toxicology and pharmacokinetic studies as a biomarker of salicylate exposure. It is commonly prepared and used as an analytical standard or reference material for LC-MS and HPLC assays, and is employed in research settings to study the metabolism of aspirin and related compounds. In pharmaceutical development and quality control, it can serve as a reference compound for methods monitoring salicylate-related processes. Its use is subject to local regulations and formulation limits; applications are typically limited to analytical and research contexts rather than consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.56
    methanol 66.87
    isopropanol 18.51
    water 5.93
    ethyl acetate 1.26
    n-propanol 18.28
    acetone 8.09
    n-butanol 10.46
    acetonitrile 1.03
    DMF 158.99
    toluene 0.18
    isobutanol 8.07
    1,4-dioxane 4.44
    methyl acetate 2.89
    THF 27.44
    2-butanone 7.78
    n-pentanol 5.29
    sec-butanol 16.39
    n-hexane 0.09
    ethylene glycol 35.06
    NMP 105.81
    cyclohexane 0.05
    DMSO 400.82
    n-butyl acetate 2.26
    n-octanol 2.08
    chloroform 0.1
    n-propyl acetate 1.3
    acetic acid 11.58
    dichloromethane 0.13
    cyclohexanone 5.33
    propylene glycol 24.07
    isopropyl acetate 1.25
    DMAc 195.93
    2-ethoxyethanol 44.65
    isopentanol 10.43
    n-heptane 0.1
    ethyl formate 2.95
    1,2-dichloroethane 0.33
    n-hexanol 4.85
    2-methoxyethanol 98.98
    isobutyl acetate 0.34
    tetrachloromethane 0.18
    n-pentyl acetate 1.47
    transcutol 36.49
    n-heptanol 2.8
    ethylbenzene 0.34
    MIBK 3.62
    2-propoxyethanol 23.11
    tert-butanol 31.04
    MTBE 4.16
    2-butoxyethanol 10.49
    propionic acid 8.01
    o-xylene 0.55
    formic acid 49.42
    diethyl ether 1.71
    m-xylene 0.31
    p-xylene 0.43
    chlorobenzene 0.1
    dimethyl carbonate 3.39
    n-octane 0.04
    formamide 88.02
    cyclopentanone 12.13
    2-pentanone 4.46
    anisole 2.59
    cyclopentyl methyl ether 3.7
    gamma-butyrolactone 14.73
    1-methoxy-2-propanol 45.84
    pyridine 1.95
    3-pentanone 2.71
    furfural 14.67
    n-dodecane 0.04
    diethylene glycol 38.12
    diisopropyl ether 0.55
    tert-amyl alcohol 25.89
    acetylacetone 5.05
    n-hexadecane 0.05
    acetophenone 3.97
    methyl propionate 3.64
    isopentyl acetate 2.38
    trichloroethylene 0.52
    n-nonanol 2.02
    cyclohexanol 3.98
    benzyl alcohol 3.82
    2-ethylhexanol 2.38
    isooctanol 2.21
    dipropyl ether 1.64
    1,2-dichlorobenzene 0.27
    ethyl lactate 5.71
    propylene carbonate 4.44
    n-methylformamide 52.61
    2-pentanol 5.96
    n-pentane 0.06
    1-propoxy-2-propanol 13.7
    1-methoxy-2-propyl acetate 5.56
    2-(2-methoxypropoxy) propanol 16.88
    mesitylene 0.33
    ε-caprolactone 5.72
    p-cymene 0.6
    epichlorohydrin 8.48
    1,1,1-trichloroethane 0.23
    2-aminoethanol 49.35
    morpholine-4-carbaldehyde 43.96
    sulfolane 61.37
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 8.22
    n-hexyl acetate 2.46
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 17.71
    sec-butyl acetate 0.8
    tert-butyl acetate 3.29
    decalin 0.08
    glycerin 53.92
    diglyme 29.48
    acrylic acid 9.03
    isopropyl myristate 1.02
    n-butyric acid 5.24
    acetyl acetate 0.81
    di(2-ethylhexyl) phthalate 2.68
    ethyl propionate 1.8
    nitromethane 17.88
    1,2-diethoxyethane 3.2
    benzonitrile 1.16
    trioctyl phosphate 1.81
    1-bromopropane 0.22
    gamma-valerolactone 19.73
    n-decanol 1.49
    triethyl phosphate 2.77
    4-methyl-2-pentanol 3.3
    propionitrile 1.45
    vinylene carbonate 3.11
    1,1,2-trichlorotrifluoroethane 20.62
    DMS 2.52
    cumene 0.41
    2-octanol 1.6
    2-hexanone 2.75
    octyl acetate 1.61
    limonene 0.85
    1,2-dimethoxyethane 39.57
    ethyl orthosilicate 2.34
    tributyl phosphate 2.0
    diacetone alcohol 16.95
    N,N-dimethylaniline 3.32
    acrylonitrile 2.47
    aniline 1.22
    1,3-propanediol 45.83
    bromobenzene 0.07
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 0.77
    2-methyl-cyclohexyl acetate 2.5
    tetrabutyl urea 4.3
    diisobutyl methanol 1.61
    2-phenylethanol 3.65
    styrene 0.27
    dioctyl adipate 2.34
    dimethyl sulfate 16.87
    ethyl butyrate 2.27
    methyl lactate 13.09
    butyl lactate 4.59
    diethyl carbonate 1.92
    propanediol butyl ether 13.02
    triethyl orthoformate 2.52
    p-tert-butyltoluene 0.61
    methyl 4-tert-butylbenzoate 6.89
    morpholine 14.69
    tert-butylamine 6.29
    n-dodecanol 0.98
    dimethoxymethane 27.55
    ethylene carbonate 1.92
    cyrene 19.64
    2-ethoxyethyl acetate 2.93
    2-ethylhexyl acetate 1.53
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 2.1
    dibutyl ether 1.02
    2,6-dimethyl-4-heptanol 1.61
    DEF 16.57
    dimethyl isosorbide 20.95
    tetrachloroethylene 0.76
    eugenol 8.44
    triacetin 3.9
    span 80 8.51
    1,4-butanediol 16.7
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 5.9
    methyl formate 18.42
    2-methyl-1-butanol 10.34
    n-decane 0.07
    butyronitrile 1.37
    3,7-dimethyl-1-octanol 2.08
    1-chlorooctane 0.29
    1-chlorotetradecane 0.13
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.09
    cyclooctane 0.03
    cyclopentanol 7.5
    tetrahydropyran 2.07
    tert-amyl methyl ether 5.5
    2,5,8-trioxanonane 23.69
    1-hexene 0.39
    2-isopropoxyethanol 15.84
    2,2,2-trifluoroethanol 8.53
    methyl butyrate 3.17

    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