Introduction：Basic information about CAS 104-98-3|Urocanic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Urocanic acid, produced in the upper layers of mammalian skin, is a major absorber of ultraviolet radiation (UVR).
Related Catalog
Natural Products >>Acids and AldehydesResearch Areas >>Others
Target
Human Endogenous Metabolite
In Vitro
Urocanic acid (UCA) is formed in the upper layers of the epidermis where filaggrin, a histidine-rich filamentous protein produced after caspase-14 cleavage of profilaggrin, is broken down by proteinases into component amino acids[1].
References
[1]. Gibbs NK, et al. Recent advances in urocanic acid photochemistry, photobiology and photoimmunology. Photochem Photobiol Sci. 2008 Jun;7(6):655-67.
Chemical & Physical Properties
Density
1.4±0.1 g/cm3
Boiling Point
456.9±20.0 °C at 760 mmHg
Melting Point
226-228 °C(lit.)
Molecular Formula
C6H6N2O2
Molecular Weight
138.124
Flash Point
230.1±21.8 °C
Exact Mass
138.042923
PSA
65.98000
LogP
0.01
Vapour Pressure
0.0±1.2 mmHg at 25°C
Index of Refraction
1.674
InChIKey
QOBBBAYBOIGDFM-SEPHDYHBSA-N
SMILES
O.O.O=C(O)C=Cc1cnc[nH]1
Storage condition
2-8°C
Water Solubility
SLIGHTLY SOLUBLE
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
NI3425200
CHEMICAL NAME :
Imidazole-4-acrylic acid
CAS REGISTRY NUMBER :
104-98-3
BEILSTEIN REFERENCE NO. :
0081405
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H6-N2-O2
MOLECULAR WEIGHT :
138.14
WISWESSER LINE NOTATION :
T5M CNJ D1U1VQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
MUTATION DATA
TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Cells - not otherwise specified
DOSE/DURATION :
1 mmol/L
REFERENCE :
JIDEAE Journal of Investigative Dermatology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1938- Volume(issue)/page/year: 65,400,1975
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