Hippuric acid
Properties, data and information sources.
Contents
Names and Identifiers
Formula
C9H9NO3
Molar mass
179.175 (g/mol)
CAS registry number
495-69-2
EC number EINECS
207-806-3
InChI Key
QIAFMBKCNZACKA-UHFFFAOYSA-N
Systematic name
2-Benzamidoacetic acid
Other names, synonyms
N-Benzoylglycine; Benzamidoacetic acid; Benzoyl glycocoll; Benzoyl amidoacetic acid
INCI name
HIPPURIC ACID
Latin name
Acidum hippuricum
Chemical formulas
Molecular formula and structural formula of Hippuric acid:
C9H9NO3
Mr = 179.175 g/mol
2-Benzamidoacetic acid
SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)O
Data and Properties
In its pure state, hippuric acid is a white, odorless solid.
solubility:+ Readily soluble in hot
water, alcohol.
- Hardly soluble in cold water (3,26 g/L at 20 °C); practically unsoluble in
benzene,
carbon disulfide.
melting point
187–191 °C
boiling point
240 °C
decomposition temperature
240 °C
density
1.371 g cm-3 at 20 °C
Spectroscopic data:
SPLASH (mass spectra)
splash10-0a4i-5930000000-166d57ae498305a4eee9
splash10-0a4i-4920000000-358e012cae8853105371
splash10-0a4i-1900000000-77de06a31655d3048394
splash10-0059-2900000000-eb7d33c98867f6a5ec0b
splash10-056r-9800000000-feb9f4f1c1e23378ca00
splash10-004i-9000000000-362e65cf5c98afb242d0
splash10-0a6r-8900000000-01e7057139a995115ddb
splash10-0a6r-6900000000-9bebc859a11a987fc2d4
MoNA Mass Bank of North America (mass spectrum)QIAFMBKCNZACKA-UHFFFAOYSA-N SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)3AAgPJa6QAC NIST IR-SpektrumHippuric acid Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)HMDB0000714 Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.
Percentage and isotopic composition:
Mass-related elemental composition and isotope proportions of the compound Hippuric acid - C9H9NO3 - calculated based on molecular mass.
Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massC
Carbon9 Ar = 12.011 u
ΣAr = 108.099 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
12C: 59.69201 %
14C: trace
13C: 0.63951 %
60.3315 %H
Hydrogen9 Ar = 1.008 u
ΣAr = 9.072 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
3H: trace
1H: 5.0627 %
2H: 0.00051 %
5.0632 %N
Nitrogen1ΣAr = 14.007 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %]
14N: 7.78783 %
15N: 0.02967 %
7.8175 %O
Oxygen3 Ar = 15.999 u
ΣAr = 47.997 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
16O: 26.72268 %
17O: 0.01027 %
18O: 0.05491 %
26.7878 % *) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.
More calculated data
The molar mass is M = 179.175 grams per mole.
The amount of substance in one kilogram of the substance is n = 5.581 mol.
The amount of substance in one gram of the substance is n = 0.006 mol.
Monoisotopic mass: 179.05824315105 Da - related to 12C91H914N16O3.
Use in Cosmetics
INCI Name: HIPPURIC ACID
Hippuric acid is an ingredient in cosmetic products, functioning as a hair-conditioning component.
Source: CosIng (Cosmetic Ingredient Database) number: 34295.
Hazard warnings according to GHS
(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.
Signal word: Danger
GHS hazard statements (H phrases):
H302
Harmful if swallowed
H315
Causes skin irritation
H318
Causes serious eye damage
H335
May cause respiratory irritation
Labeling in the EU: See ECHA Substance Infocard 100.007.098.
Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.
External Sources
PubChem:ID 464ChemSpider:ID 451Kegg database DBGET:ID C01586UNII of the FDA (USA):Unique Ingredient Identifier TE0865N2ETEPA CompTox Chemicals Dashboard:DTXSID9046073NCI Thesaurus:C87277 (active ingredient description)Other CAS RN:140480-84-8; 21251-67-2; 66407-11-2; 892119-18-5; 892119-19-6; 1361329-72-7 (also used, outdated or deleted registration numbers)
Manufacturers and Sources of Supply
The table below lists producers and suppliers of Hippuric acid as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.
Literature Sources
[0] - Specialist and research articles in scientific journals via PubMed: Hippuric_acid.
Last update: 2026-02-11
Perma link: https://www.chemlin.org/chemical-compound/Hippuric acid.php
© 1996 - 2026 ChemLin
