Hippuric acid

Description

Hippuric acid · CAS 495-69-2 · C9H9NO3. UNII TE0865N2ET. Melting Point: 187 - 191 °C; Solubility: 3.75 mg/mL; Vapor Pressure: 0.00000076 [mmHg].

Identification

CAS Registry Number	495-69-2
PubChem CID	464
Molecular formula	C9H9NO3
IUPAC name	2-benzamidoacetic acid
UNII (FDA)	TE0865N2ET

Computed Descriptors

Molecular Weight	179.17
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.058243149
Monoisotopic Mass	179.058243149
Topological Polar Surface Area	66.4
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	187 - 191 °C
Solubility	3.75 mg/mL
Vapor Pressure	0.00000076 [mmHg]
LogP	0.31
Collision Cross Section	153.1 Ų [M+Na]+
Collision Cross Section	147.7 Ų [M-H]-
Collision Cross Section	149.9 Ų [M+Na]+
Collision Cross Section	145.9 Ų [M+H]+
Collision Cross Section	142.4 Ų [M-H]-

Physical description & handling notes

• Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
• Solid
• 139.72 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 142 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 149.6 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 146.82 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Hair conditioning
GHS notification summary	5.2% (3 / 58)

GHS Hazard Classification

GHS notification summary	5.2% (3 / 58)
Reported hazard statements	H302 (93.1%), H315 (94.8%), H318 (93.1%), H335 (93.1%)

Documented Uses

• Found in the urine of herbivorous animals and humans; [Merck Index]
• Naturally produced by the body (endogenous).
• Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.

Synonyms

Hippuric acid; 495-69-2; 2-Benzamidoacetic acid; N-Benzoylglycine; Benzoylglycine; Glycine, N-benzoyl-; Benzamidoacetic acid; Benzoylaminoacetic acid; hippurate; Hippursaeure; 2-(Phenylformamido)Acetic Acid; Phenylcarbonylaminoacetic acid; Benzamidoessigsaeure; Benzoylaminoessigsaeure; Acido ippurico; DTXSID9046073

Frequently Asked Questions

What are the CAS number and molecular formula of Hippuric acid?

CAS 495-69-2; molecular formula C9H9NO3; molecular weight — g/mol.

What other names is Hippuric acid known by?

Hippuric acid, 495-69-2, 2-Benzamidoacetic acid, N-Benzoylglycine, Benzoylglycine, Glycine, N-benzoyl-.

What is the regulatory status of Hippuric acid?

Documented regulatory listings: CIR / INCI: Hair conditioning.

Is Hippuric acid classified as hazardous?

5.2% of GHS notifications report no hazard classification (3 of 58).

What are the key physical properties of Hippuric acid?

Melting Point: 187 - 191 °C; Solubility: 3.75 mg/mL; Vapor Pressure: 0.00000076 [mmHg]; LogP: 0.31.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.