trans-2-Hydroxycinnamic acid - CAS 614-60-8
Catalog: |
BB031117 |
Product Name: |
trans-2-Hydroxycinnamic acid |
CAS: |
614-60-8 |
Synonyms: |
(E)-3-(2-hydroxyphenyl)acrylic acid; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-; (2E)-3-(2-Hydroxyphenyl)-2-propenoic acid; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)-; Cinnamic acid, o-hydroxy-, (E)-; (E)-2-Hydroxycinnamic acid; (E)-3-(2-Hydroxyphenyl)acrylic acid; (E)-o-Coumaric acid; (E)-o-Hydroxycinnamic acid; NSC 32952; o-Hydroxy-trans-cinnamic acid; trans-o-Coumaric acid; trans-o-Hydroxycinnamic acid |
IUPAC Name: | (E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
Description: | 2-Hydroxycinnamic acid is found in the herbs of Angraecum fragrans, it has photooxidant activity. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C=CC(=O)O)O |
InChI: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
InChI Key: | PMOWTIHVNWZYFI-AATRIKPKSA-N |
Boiling Point: | 348.0±17.0°C at 760 mmHg |
Melting Point: | 214-215°C (dec.) |
Flash Point: | 178.5°C |
Purity: | ≥95% |
Density: | 1.329±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Ethyl Acetate (Slightly) |
Appearance: | White powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00004379 |
LogP: | 1.49000 |
GHS Hazard Statement: | H301 (61.54%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113265028-A | Sulfonated phenolic resin modified polyacrylamide and preparation method thereof | 20210721 |
CN-113265028-B | Sulfonated phenolic resin modified polyacrylamide and preparation method thereof | 20210721 |
CN-113461680-A | 4-hydroxycoumarin azaisatin derivative and preparation method and application thereof | 20210629 |
CN-113318205-A | Traditional Chinese medicine composition for treating pleural effusion and pericardial effusion | 20210615 |
CN-113189249-A | Method for deducing death time of rat based on UPLC-MS technology | 20210607 |
PMID | Publication Date | Title | Journal |
22980784 | 20121215 | Simultaneous determination of anthocyanins, coumarins and phenolic acids in fruits, kernels and liqueur of Prunus mahaleb L | Food chemistry |
22677314 | 20120715 | Xanthine oxidase inhibitory activity of constituents of Cinnamomum cassia twigs | Bioorganic & medicinal chemistry letters |
22589189 | 20120501 | Proteogenomic evidence for β-oxidation of plant-derived 3-phenylpropanoids in 'Aromatoleum aromaticum' EbN1 | Proteomics |
22305355 | 20120316 | Development of a novel microextraction by packed sorbent-based approach followed by ultrahigh pressure liquid chromatography as a powerful technique for quantification phenolic constituents of biological interest in wines | Journal of chromatography. A |
22316076 | 20120308 | Energetics and structural properties, in the gas phase, of trans-hydroxycinnamic acids | The journal of physical chemistry. A |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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