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Synonyms | caffeic acid|3,4-Dihydroxycinnamic acid|331-39-5|trans-caffeic acid|501-16-6|3,4-Dihydroxybenzeneacrylic acid|3-(3,4-dihydroxyphenyl)acrylic acid|(E)-3-(3,4-dihydroxyphenyl)acrylic acid|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid|Caffeicacid|Cinnamic ac |
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Specifications & Purity | Moligand™, analytical standard |
Shipped In | Normal |
Grade | analytical standard, Moligand™ |
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IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
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INCHI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
InChi Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
Canonical SMILES | C1=CC(=C(C=C1C=CC(=O)O)O)O |
Isomeric SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)O)O |
WGK Germany | 3 |
RTECS | GD8950000 |
Alternate CAS | 501-16-6 |
PubChem CID | 689043 |
Molecular Weight | 180.16 |
Beilstein | 1954563 |
CAS Registry No. | 331-39-5 |
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Wikipedia | Caffeic acid |
ChEBI | CHEBI:36281 |
PubChem CID | 689043 |
ChEMBL Ligand | CHEMBL145 |
RCSB PDB Ligand | DHC |
Antibiotic DB | 1447 |
Enter Lot Number to search for COA:
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Lot Number | Certificate Type | Date | Item |
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F2126041 | Certificate of Analysis | Jun 30, 2021 | C108308 |
Sensitivity | Moisture sensitive. |
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Melt Point(°C) | 194-198°C |
Pictogram(s) | GHS08, GHS07 |
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Signal | Warning |
Hazard Statements | H319:Causes serious eye irritation H351:Suspected of causing cancer |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P203:Obtain, read and follow all safety instructions before use. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P318:if exposed or concerned, get medical advice. P337+P317:If eye irritation persists: Get medical help. |
WGK Germany | 3 |
RTECS | GD8950000 |
Merck Index | 1635 |