Urocanic acid
Urocanic acid structure
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Common Name | Urocanic acid | ||
|---|---|---|---|---|
| CAS Number | 104-98-3 | Molecular Weight | 138.124 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 456.9±20.0 °C at 760 mmHg | |
| Molecular Formula | C6H6N2O2 | Melting Point | 226-228 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 230.1±21.8 °C | |
Use of Urocanic acidUrocanic acid, produced in the upper layers of mammalian skin, is a major absorber of ultraviolet radiation (UVR). |
Summary: Urocanic acid, with molecular formula C6H6N2O2 and molecular weight 138.124, appears as a white powder. Melting point 226-228°C, boiling point 456.9±20.0°C, density 1.4±0.1g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | urocanic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Urocanic acid, produced in the upper layers of mammalian skin, is a major absorber of ultraviolet radiation (UVR). |
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| Related Catalog | |
| 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 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NI3425200 |
| HS Code | 29332990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Urocanic acid CAS#:104-98-3 |
| Literature: Analytical Chemistry, , vol. 77, # 4 p. 1013 - 1019 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 4 | |
CAS#:31434-93-2
CAS#:102676-60-8
CAS#:49549-75-9
CAS#:56662-92-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29332990 |
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This table lists relevant public references with title, journal and publication metadata for this compound.
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Investigation of a Degradant in a Biologics Formulation Buffer Containing L-Histidine.
Pharm. Res. 32 , 2625-35, (2015) An unknown UV 280 nm absorbing peak was observed by SEC for protein stability samples formulated in L-histidine during a stress stability study. Understanding the source would enhance the confidence i... |
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Chemical genetics reveals a complex functional ground state of neural stem cells.
Nat. Chem. Biol. 3(5) , 268-273, (2007) The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc... |
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Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.
Eur. J. Med. Chem. 46 , 1483-98, (2011) A new series of potential GABA uptake inhibitors starting from of 1H-imidazol-4-ylacetic acid with the carboxylic acid side chain originating from different positions and varying in length have been s... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (2E)-3-(1H-Imidazol-4-yl)acrylic acid |
| urocanoic acid |
| (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid |
| (E)-3-(1H-imidazol-4-yl)acrylic acid |
| RARECHEM AL BK 0762 |
| (Z/E)-3-(1H-imidazol-4-yl)-2-propenoic acid |
| 3-(1H-imidazol-4-yl)prop-2-enoic acid |
| imidazoleacrylicacid |
| (E)-3-(1H-imidazol-4-yl)-2-propenoic acid |
| 3-imidazol-4-ylacrylic |
| Urocanate |
| 4-Imidazoleacrylic Acid |
| UROCANINIC ACID |
| Trans-Urocanic acid |
| (E)-3-(1H-Imidazol-5-yl)-2-propenoic acid |
| 3-(1H-Imidazol-4-yl)acrylic acid |
| Urocanic caid |
| Urocanic acid |
| 3-imidazol-4-yl-acrylic acid |
| urosanic acid |
| 4-imidazoleacrylate |
| MFCD00005203 |
| (2E)-3-(1H-Imidazol-5-yl)acrylic acid |
| EINECS 203-258-4 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of urocanic acid? |
| A: Molecular formula of urocanic acid is C6H6N2O2. |
| Q: What is the CAS number of urocanic acid? |
| A: CAS number of urocanic acid is 104-98-3. |
| Q: What is the melting point of urocanic acid? |
| A: Melting point of urocanic acid is 226-228 °C(lit.). |
| Q: How is the water solubility of urocanic acid? |
| A: Water solubility of urocanic acid: SLIGHTLY SOLUBLE. |
| Q: What is the SMILES notation of urocanic acid? |
| A: SMILES notation of urocanic acid is O.O.O=C(O)C=Cc1cnc[nH]1. |
| Q: What is the LogP of urocanic acid? |
| A: LogP of urocanic acid is 0.01. |
| Q: What is the polar surface area (PSA) of urocanic acid? |
| A: Polar surface area (PSA) of urocanic acid is 65.98000. |
| Q: What is the English name of urocanic acid? |
| A: The English name of urocanic acid is urocanic acid. |
| Q: What is the boiling point of urocanic acid? |
| A: Boiling point of urocanic acid is 456.9±20.0 °C at 760 mmHg. |
| Q: What is the safety information for urocanic acid? |
| A: Safety information for urocanic acid: S22-S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |