Hippuric Acid

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  • Identifiers

    CAS number
    495-69-2

    Molecular formula
    C9H9NO3

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.15%
    Savory 31.58%
    Bitter 26.27%
    Cooked 26.2%
    Fruity 25.81%
    Sweet 24.35%
    Burnt 24.15%
    Meaty 23.17%
    Balsamic 21.7%
    Caramellic 21.27%

     

    Flavor
    Odorless 60.78%
    Mild 37.14%
    Sour 32.52%
    Faint 31.56%
    Very mild 30.56%
    Nutty 28.29%
    Yeast 23.98%
    Urine 22.71%
    Musty 22.62%
    Cadaverous 21.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    6.65 (neutral)

    Molecular weight
    179.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    188°C

    Melting point expt.

    • 187 - 191 °C

    Flash point

    • 202.45 ˚C est.

    Solubility expt.

    • 3.75 mg/mL

  • Synonyms

    • Hippuric acid
    • 2-Benzamidoacetic acid
    • 495-69-2
    • N-Benzoylglycine
    • Benzoylglycine
    • Glycine, N-benzoyl-
    • Benzamidoacetic acid
    • Benzoylaminoacetic acid
    • hippurate
    • Hippursaeure
    • Phenylcarbonylaminoacetic acid
    • Benzamidoessigsaeure
    • 2-(Phenylformamido)Acetic Acid
    • Benzoylaminoessigsaeure
    • Acido ippurico
    • TE0865N2ET
    • DTXSID9046073
    • HIPPURICUM ACIDUM
    • NSC-9982
    • DTXCID7026073
    • CHEBI:18089
    • RefChem:5887
    • CHEBI:132966
    • 207-806-3
    • (benzoylamino)acetic acid
    • N-Benzoyl-glycin
    • Acetic acid, (benzoylamino)-
    • Bz-Gly-OH
    • MFCD00002692
    • Acido ippurico [Italian]
    • 66407-11-2
    • NSC 9982
    • HippuricAcid-13C6
    • N-(phenylcarbonyl)glycine
    • CHEMBL461
    • NCGC00159486-02
    • Benzoylaminoethanoic acid
    • ACETIC ACID,BENZAMIDE HIPPURIC ACID
    • N-BENZOYL(D5) GLYCINE
    • 2-(phenylcarbonylamino)acetic acid
    • benzoyl glycine
    • CAS-495-69-2
    • 2-benzamidoaceticacid
    • EINECS 207-806-3
    • 2-(benzoylamino)acetic acid
    • BRN 1073987
    • UNII-TE0865N2ET
    • Benzoylglycin
    • hippuric-acid
    • Benzamidoacetate
    • Benzoylglycocoll
    • AI3-01062
    • n-benzoyl-glycine
    • N-benzoyl glycine
    • Hippuric acid, Na
    • (benzoylamino)-Acetate
    • Hippuric acid, 98%
    • benzoylamino-acetic acid
    • 2-benzamidoethanoic acid
    • Phenylcarbonylaminoacetate
    • Hippuric acid (Standard)
    • (benzoylamino)-Acetic acid
    • bmse000408
    • Cambridge id 5116993
    • HIPPURIC ACID [MI]
    • SCHEMBL7486
    • TimTec1_002805
    • Oprea1_124422
    • Oprea1_492747
    • 4-09-00-00778 (Beilstein Handbook Reference)
    • MLS001074359
    • BIDD:ER0490
    • orb1302543
    • SCHEMBL2223592
    • SCHEMBL4626771
    • SCHEMBL5155207
    • SCHEMBL7301446
    • SCHEMBL9808797
    • HIPPURICUM ACIDUM [HPUS]
    • acetic acid, 2-(benzoylamino)-
    • MSK8344
    • NSC9982
    • Hippuric acid, puriss., 99.0%
    • HMS1541P11
    • HMS2230I23
    • HMS3373I07
    • HMS5085K03
    • ALBB-005966
    • BB_NC-01748
    • HY-W016562R
    • Benzenecarboxamide, N-carboxymethyl-
    • Tox21_111710
    • BBL008217
    • BDBM50009999
    • EBC-03549
    • s5618
    • SBB003759
    • STK011394
    • AKOS000118897
    • Tox21_111710_1
    • BS-3968
    • CCG-266415
    • CS-W017278
    • FH23833
    • HY-W016562
    • SDCCGMLS-0064636.P001
    • s11321
    • NCGC00159486-03
    • NCGC00159486-04
    • NCGC00159486-06
    • SMR000112115
    • ST037059
    • DB-051645
    • H0143
    • NS00013745
    • EN300-16768
    • C01586
    • SBI-0633529.0002
    • AB00375781-06
    • F065806
    • Q412803
    • BRD-K62914667-001-13-9
    • F2111-0036
    • 37C5E4E2-F7A0-451C-A041-5C9A71D92FA7
    • METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY H [EP IMPURITY]
    • InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12
    • 495-69-2

  • Applications

    Commonly used as a synthetic intermediate for N-benzoylglycine derivatives in organic synthesis; serves as a reference material for analytical methods such as HPLC and GC to quantify hippuric acid in samples; is a urinary metabolite used as a biomarker of toluene exposure in occupational health monitoring; may be evaluated as a building block in pharmaceutical and agrochemical research for amide formation and conjugation to more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.32
    methanol 85.01
    isopropanol 23.26
    water 8.52
    ethyl acetate 6.32
    n-propanol 22.53
    acetone 16.63
    n-butanol 15.49
    acetonitrile 3.16
    DMF 543.9
    toluene 0.74
    isobutanol 12.59
    1,4-dioxane 15.31
    methyl acetate 9.09
    THF 31.62
    2-butanone 13.8
    n-pentanol 12.2
    sec-butanol 22.64
    n-hexane 0.1
    ethylene glycol 48.67
    NMP 179.07
    cyclohexane 0.06
    DMSO 346.38
    n-butyl acetate 7.92
    n-octanol 3.52
    chloroform 0.61
    n-propyl acetate 6.16
    acetic acid 41.34
    dichloromethane 1.11
    cyclohexanone 14.86
    propylene glycol 32.07
    isopropyl acetate 5.61
    DMAc 458.77
    2-ethoxyethanol 89.76
    isopentanol 18.45
    n-heptane 0.16
    ethyl formate 8.52
    1,2-dichloroethane 1.88
    n-hexanol 9.15
    2-methoxyethanol 146.3
    isobutyl acetate 2.34
    tetrachloromethane 0.26
    n-pentyl acetate 4.09
    transcutol 155.19
    n-heptanol 4.6
    ethylbenzene 1.37
    MIBK 8.63
    2-propoxyethanol 41.11
    tert-butanol 46.95
    MTBE 10.88
    2-butoxyethanol 20.9
    propionic acid 19.55
    o-xylene 2.07
    formic acid 111.15
    diethyl ether 3.54
    m-xylene 1.32
    p-xylene 1.91
    chlorobenzene 0.8
    dimethyl carbonate 11.77
    n-octane 0.08
    formamide 215.2
    cyclopentanone 27.18
    2-pentanone 9.66
    anisole 10.2
    cyclopentyl methyl ether 8.58
    gamma-butyrolactone 40.35
    1-methoxy-2-propanol 74.93
    pyridine 9.59
    3-pentanone 5.44
    furfural 44.12
    n-dodecane 0.09
    diethylene glycol 68.03
    diisopropyl ether 1.59
    tert-amyl alcohol 42.17
    acetylacetone 16.15
    n-hexadecane 0.1
    acetophenone 14.24
    methyl propionate 11.99
    isopentyl acetate 8.78
    trichloroethylene 3.05
    n-nonanol 3.62
    cyclohexanol 7.26
    benzyl alcohol 14.88
    2-ethylhexanol 4.95
    isooctanol 4.17
    dipropyl ether 3.28
    1,2-dichlorobenzene 1.61
    ethyl lactate 12.9
    propylene carbonate 16.72
    n-methylformamide 106.07
    2-pentanol 9.03
    n-pentane 0.07
    1-propoxy-2-propanol 25.92
    1-methoxy-2-propyl acetate 17.1
    2-(2-methoxypropoxy) propanol 34.5
    mesitylene 1.26
    ε-caprolactone 20.72
    p-cymene 1.71
    epichlorohydrin 28.35
    1,1,1-trichloroethane 0.7
    2-aminoethanol 67.39
    morpholine-4-carbaldehyde 116.61
    sulfolane 85.34
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 16.6
    n-hexyl acetate 6.15
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 44.19
    sec-butyl acetate 4.25
    tert-butyl acetate 10.15
    decalin 0.2
    glycerin 77.31
    diglyme 77.39
    acrylic acid 23.77
    isopropyl myristate 2.66
    n-butyric acid 15.18
    acetyl acetate 4.55
    di(2-ethylhexyl) phthalate 6.58
    ethyl propionate 6.25
    nitromethane 67.41
    1,2-diethoxyethane 14.02
    benzonitrile 5.69
    trioctyl phosphate 3.89
    1-bromopropane 0.62
    gamma-valerolactone 55.23
    n-decanol 2.82
    triethyl phosphate 6.98
    4-methyl-2-pentanol 6.27
    propionitrile 3.2
    vinylene carbonate 12.5
    1,1,2-trichlorotrifluoroethane 41.64
    DMS 10.26
    cumene 1.57
    2-octanol 2.65
    2-hexanone 7.42
    octyl acetate 3.94
    limonene 2.23
    1,2-dimethoxyethane 77.07
    ethyl orthosilicate 6.35
    tributyl phosphate 5.01
    diacetone alcohol 35.53
    N,N-dimethylaniline 11.55
    acrylonitrile 7.57
    aniline 5.26
    1,3-propanediol 63.06
    bromobenzene 0.53
    dibromomethane 0.54
    1,1,2,2-tetrachloroethane 3.45
    2-methyl-cyclohexyl acetate 7.98
    tetrabutyl urea 9.7
    diisobutyl methanol 3.72
    2-phenylethanol 11.24
    styrene 1.45
    dioctyl adipate 6.52
    dimethyl sulfate 41.09
    ethyl butyrate 7.05
    methyl lactate 25.2
    butyl lactate 10.42
    diethyl carbonate 5.88
    propanediol butyl ether 28.32
    triethyl orthoformate 6.93
    p-tert-butyltoluene 1.67
    methyl 4-tert-butylbenzoate 16.17
    morpholine 36.68
    tert-butylamine 10.28
    n-dodecanol 2.03
    dimethoxymethane 58.51
    ethylene carbonate 8.59
    cyrene 37.62
    2-ethoxyethyl acetate 10.49
    2-ethylhexyl acetate 5.58
    1,2,4-trichlorobenzene 2.93
    4-methylpyridine 9.22
    dibutyl ether 2.6
    2,6-dimethyl-4-heptanol 3.72
    DEF 44.64
    dimethyl isosorbide 44.47
    tetrachloroethylene 2.64
    eugenol 19.63
    triacetin 12.91
    span 80 18.67
    1,4-butanediol 32.04
    1,1-dichloroethane 0.53
    2-methyl-1-pentanol 15.1
    methyl formate 47.07
    2-methyl-1-butanol 18.13
    n-decane 0.13
    butyronitrile 3.21
    3,7-dimethyl-1-octanol 4.67
    1-chlorooctane 0.62
    1-chlorotetradecane 0.34
    n-nonane 0.1
    undecane 0.11
    tert-butylcyclohexane 0.23
    cyclooctane 0.04
    cyclopentanol 11.1
    tetrahydropyran 4.63
    tert-amyl methyl ether 12.32
    2,5,8-trioxanonane 57.65
    1-hexene 0.62
    2-isopropoxyethanol 43.36
    2,2,2-trifluoroethanol 20.79
    methyl butyrate 10.56

    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