Ethyl 3-oxo-3-(2-pyridinyl)propanoate structure
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Common Name | Ethyl 3-oxo-3-(2-pyridinyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 26510-52-1 | Molecular Weight | 193.199 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 276.6±15.0 °C at 760 mmHg | |
| Molecular Formula | C10H11NO3 | Melting Point | N/A | |
| MSDS | USA | Flash Point | 121.1±20.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 3-oxo-3-pyridin-2-ylpropanoate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 276.6±15.0 °C at 760 mmHg |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.199 |
| Flash Point | 121.1±20.4 °C |
| Exact Mass | 193.073898 |
| PSA | 56.26000 |
| LogP | 1.08 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.511 |
| InChIKey | FQHXWZMJALFSJJ-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CC(=O)c1ccccn1 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: Ingestion of large amounts may cause gastrointestinal irritation. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid if irritation or symptoms occur. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash hands before eating. Use only in a well-ventilated area. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Do not get on skin or in eyes. Avoid ingestion and inhalation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 26510-52-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear almost colorless Odor: Moderate pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 100 - 104 deg C @ .30mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 200 deg C (> 392.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: neglegible in water Specific Gravity/Density: Molecular Formula: Molecular Weight: 193.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 26510-52-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethylpicolinoyl Acetate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 26510-52-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 26510-52-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 26510-52-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity against human HCT116 cells at 10 uM after 48 hrs by WST-1 assay
Source: ChEMBL
Target: HCT-116
External Id: CHEMBL2038772
|
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Name: Cytotoxicity against human ACHN cells at 10 uM after 48 hrs by WST-1 assay
Source: ChEMBL
Target: ACHN
External Id: CHEMBL2038773
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Name: Cytotoxicity against human NCI-H460 cells at 10 uM after 48 hrs by WST-1 assay
Source: ChEMBL
Target: NCI-H460
External Id: CHEMBL2038771
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Name: Cytotoxicity against human Calu1 cells at 10 uM after 48 hrs by WST-1 assay
Source: ChEMBL
Target: Calu-1
External Id: CHEMBL2038774
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|
Name: Cytotoxicity against human PANC1 cells at 10 uM after 48 hrs by WST-1 assay
Source: ChEMBL
Target: PANC-1
External Id: CHEMBL2038775
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 3-(2-pyridyl)-3-oxopropionate |
| Ethyl 3-oxo-3-(2-pyridinyl)propanoate |
| ethyl 3-oxo-(2-pyridinyl)propanoate |
| 3-oxo-3-pyridin-2-ylpropionic acid ethyl ester |
| ethyl 3-oxo-3-(pyridin-2-yl)propanoate |
| 3-oxo-3-(2-pyridyl)-propanoic acid ethyl ester |
| ethyl 3-oxo-3-(2-pyridyl)propionate |
| MFCD00094022 |
| 2-Pyridinepropanoic acid, β-oxo-, ethyl ester |
| Ethyl picolinoylacetate |
| ethyl 3-oxo-3-(2-pyridyl)propanoate |
| ethyl 3-(2-pyridyl)-3-oxopropanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Safety information for ethyl 3-oxo-3-pyridin-2-ylpropanoate: S24/25. |
| Q: What is the LogP of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: LogP of ethyl 3-oxo-3-pyridin-2-ylpropanoate is 1.08. |
| Q: What is the polar surface area (PSA) of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Polar surface area (PSA) of ethyl 3-oxo-3-pyridin-2-ylpropanoate is 56.26000. |
| Q: What is the molecular weight of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Molecular weight of ethyl 3-oxo-3-pyridin-2-ylpropanoate is 193.199. |
| Q: What is the English name of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: The English name of ethyl 3-oxo-3-pyridin-2-ylpropanoate is ethyl 3-oxo-3-pyridin-2-ylpropanoate. |
| Q: What are the storage conditions for ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Storage conditions for ethyl 3-oxo-3-pyridin-2-ylpropanoate: 2-8°C. |
| Q: What is the molecular formula of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Molecular formula of ethyl 3-oxo-3-pyridin-2-ylpropanoate is C10H11NO3. |
| Q: What is the CAS number of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: CAS number of ethyl 3-oxo-3-pyridin-2-ylpropanoate is 26510-52-1. |
| Q: What is the boiling point of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: Boiling point of ethyl 3-oxo-3-pyridin-2-ylpropanoate is 276.6±15.0 °C at 760 mmHg. |
| Q: What is the InChIKey of ethyl 3-oxo-3-pyridin-2-ylpropanoate? |
| A: InChIKey of ethyl 3-oxo-3-pyridin-2-ylpropanoate is FQHXWZMJALFSJJ-UHFFFAOYSA-N. |
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. |