Ethyl phenylpropiolate - CAS 2216-94-6
Catalog: |
BB017435 |
Product Name: |
Ethyl phenylpropiolate |
CAS: |
2216-94-6 |
Synonyms: |
ethyl 3-phenylprop-2-ynoate |
IUPAC Name: | ethyl 3-phenylprop-2-ynoate |
Description: | Ethyl phenylpropiolate (CAS# 2216-94-6) is a useful research chemical. |
Molecular Weight: | 174.20 |
Molecular Formula: | C11H10O2 |
Canonical SMILES: | CCOC(=O)C#CC1=CC=CC=C1 |
InChI: | InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3 |
InChI Key: | ACJOYTKWHPEIHW-UHFFFAOYSA-N |
Boiling Point: | 260-270 °C |
Flash Point: | 235 °F |
Purity: | 98+ % |
Density: | 1.055 g/cm3 |
Solubility: | less than 1 mg/mL at 75 °F |
Appearance: | Clear pale yellow liquid. |
Storage: | 2-8 °C |
MDL: | MFCD00009185 |
LogP: | 1.60120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27546299 | 20161101 | Pseuderanthemum palatiferum leaf extract inhibits the proinflammatory cytokines, TNF-α and IL-6 expression in LPS-activated macrophages | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22530143 | 20120101 | Anti-Inflammatory, Analgesic, and Antipyretic Activities of the Ethanol Extract of Piper interruptum Opiz. and Piper chaba Linn | ISRN pharmacology |
22666237 | 20120101 | Antinociceptive, anti-inflammatory, and antipyretic activity of mangrove plants: a mini review | Advances in pharmacological sciences |
21298834 | 20101201 | Anti-inflammatory, anti-nociceptive and antipyretic effects of the ethanol extract from root of Piper sarmentosum Roxb | Journal of the Medical Association of Thailand = Chotmaihet thangphaet |
19830655 | 20100301 | Anti-HIV-1 and anti-inflammatory lupanes from the leaves, twigs, and resin of Garcinia hanburyi | Planta medica |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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