ChemicalBook--->CAS DataBase List--->487-54-7

487-54-7

487-54-7 Structure

487-54-7 Structure
IdentificationMore
[Name]

2-HYDROXYHIPPURIC ACID
[CAS]

487-54-7
[Synonyms]

[(2-HYDROXYBENZOYL)AMINO]ACETIC ACID
(2-HYDROXYBENZOYL)GLYCINE
2-HYDROXYHIPPURIC ACID
IFLAB-BB F1918-0024
O-HYDROXYHIPPURIC ACID
SALICYLGLYCINE
SALICYLGYCINE
SALICYLURIC ACID
TIMTEC-BB SBB000337
Glycine, N-(2-hydroxybenzoyl)-
Hippuric acid, o-hydroxy-
n-(2-hydroxybenzoyl)-glycin
n-(2-hydroxybenzoyl)glycine
N-o-Hydroxybenzoylglycine
n-salicyloyl-glycin
N-Salicyloylglycine
o-hydroxy-hippuricaci
ortho-Hydroxyhippuric acid
Salicyloylglycine
salicylurate
[EINECS(EC#)]

207-661-6
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD00002695
[Molecular Weight]

195.17
[MOL File]

487-54-7.mol
Chemical PropertiesBack Directory
[Appearance]

Light gray crystalline powder
[Melting point ]

164-169 °C
[Boiling point ]

331.83°C (rough estimate)
[density ]

1.3544 (rough estimate)
[refractive index ]

1.5700 (estimate)
[storage temp. ]

Store at 0°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder, Crystals or Chunks
[pka]

3.68±0.10(Predicted)
[color ]

White to light yellow
[Stability:]

Hygroscopic
[InChI]

InChI=1S/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)
[InChIKey]

ONJSZLXSECQROL-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CNC(=O)C1=CC=CC=C1O
[CAS DataBase Reference]

487-54-7(CAS DataBase Reference)
[EPA Substance Registry System]

Glycine, N-(2-hydroxybenzoyl)- (487-54-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RTECS ]

MR8160000
[HS Code ]

29242998
Hazard InformationBack Directory
[Description]

Salicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a N-acylglycine and a secondary carboxamide. It is functionally related to a glycine. It is a conjugate acid of a salicylurate.
[Chemical Properties]

Light gray crystalline powder
[Uses]

Metabolite of Salicylic Acid (S088125).
2-Hydroxyhippuric acid is a phenol marker. Can be associated with dietary intake or bacterial overgrowth.
Indicators of Detoxification: A conjugate of the amino acid glycine and hydroxybenzoic acid (salicylic acid). Intake of aspirin (salicylates) or the growth of salicylate-producing gastrointestinal bacteria may elevate levels. Also increased after the ingestion of the artificial sweetener aspartame (Nutrasweet).
[Definition]

ChEBI: An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.
[Synthesis]

The synthesis of Salicyluric acid is as follows:
To a solution of 5 g of glycine in 50ml of 10%NaOH was stirred at room temperature upon slowaddition of salicyloyl chloride, and the resultingmixture was stirred overnight. Progress of the reaction was followed by TLC (hexane : ethylacetate, 7 : 3).Then the reaction mixture was treated with crushed iceupon stirring. Concentrated HCl was added dropwiseand stirring was continued until the mixture turnedacidic. For removing the residual benzoic acid the mixture was treated with 10-12 mL of CCl4, boiled and then filtered. A pinkish white solid was obtained, yield 90%, mp 165°C.
synthesis of Salicyluric acid.png
[storage]

-20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Salicyluric acid(487-54-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Hydroxyhippuric acid, 97%(487-54-7)
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