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104-98-3

3-imidazol-4-ylacrylic acid

CAS: 104-98-3

Molecular Formula: C6H6N2O2

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104-98-3 - Names and Identifiers

Name 3-imidazol-4-ylacrylic acid
Synonyms Urocanic acid
4-Imidazoleacrylic acid
1H-Imidazole-4-acrylic acid
1H-Imidazole-5-acrylic acid
3-imidazol-4-ylacrylic acid
3-(4-Imidazolyl)acrylic acid
3-(3H-imidazol-4-yl)acrylic acid
(E)-3-(3H-imidazol-4-yl)acrylic acid
3-(1H-imidazol-4-yl)prop-2-enoic acid
3-(1H-imidazol-5-yl)prop-2-enoic acid
(2E)-3-(1H-imidazol-5-yl)prop-2-enoate
(E)-3-(1H-Imidazol-5-yl)-2-propenoic acid
(2Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
(2E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
4-Imidazoleacrylic acid,3-(4-Imidazolyl)acrylic acid, Urocanic acid
CAS 104-98-3
EINECS 203-258-4
InChI InChI=1/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1/b2-1+

104-98-3 - Physico-chemical Properties

Molecular FormulaC6H6N2O2
Molar Mass138.12
Density1.3471 (rough estimate)
Melting Point226-228°C(lit.)
Boling Point253.51°C (rough estimate)
Flash Point230.1°C
Water SolubilitySLIGHTLY SOLUBLE
Solubility 1.5g/l
Vapor Presure3.87E-09mmHg at 25°C
AppearanceWhite to white-like powder
ColorWhite to beige
BRN81405
pKa2.94±0.10(Predicted)
Storage ConditionKeep in dark place,Sealed in dry,2-8°C
Refractive Index1.5100 (estimate)
MDLMFCD00005203
In vitro study 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.

104-98-3 - Risk and Safety

Safety DescriptionS22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.
WGK Germany3
RTECSNI3425200
HS Code29332990
Hazard ClassIRRITANT

104-98-3 - Reference

Reference
Show more
1. [IF=5.82] Jiaqi Wu et al."Role of microbial metabolites of histidine in the development of colitis."MOLECULAR NUTRITION & FOOD RESEARCH

104-98-3 - Reference Information

EPA chemical information Information provided by: ofmpub.epa.gov (external link)
biological activity Urocanic acid is the main light receptor in the skin and naturally exists as trans-urinic acid.
Last Update:2024-04-09 15:16:46
104-98-3
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