methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate structure
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Common Name | methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate | ||
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CAS Number | 98258-72-1 | Molecular Weight | 266.29100 | |
Density | 1.169g/cm3 | Boiling Point | 426.3ºC at 760mmHg | |
Molecular Formula | C17H14O3 | Melting Point | 119-120ºC | |
MSDS | N/A | Flash Point | 189.5ºC |
Name | methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate |
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Synonym | More Synonyms |
Density | 1.169g/cm3 |
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Boiling Point | 426.3ºC at 760mmHg |
Melting Point | 119-120ºC |
Molecular Formula | C17H14O3 |
Molecular Weight | 266.29100 |
Flash Point | 189.5ºC |
Exact Mass | 266.09400 |
PSA | 43.37000 |
LogP | 3.36930 |
Index of Refraction | 1.609 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: Keep container closed when not in use. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 98258-72-1: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 119.00 - 120.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: negligible Specific Gravity/Density: Molecular Formula: C17H14O3 Molecular Weight: 266.29 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 98258-72-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 98258-72-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 98258-72-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 98258-72-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi: Irritant; |
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Risk Phrases | 36/37/38 |
Safety Phrases | 37/39-26 |
HS Code | 2918300090 |
~81% methyl 4-(3-oxo... CAS#:98258-72-1 |
Literature: Varma, Rajender S.; Kabalka, George W.; Evans, Lan T.; Pagni, Richard M. Synthetic Communications, 1985 , vol. 15, # 4 p. 279 - 284 |
~18% methyl 4-(3-oxo... CAS#:98258-72-1 |
Literature: Unoh, Yuto; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro Journal of Organic Chemistry, 2013 , vol. 78, # 10 p. 5096 - 5102 |
~% methyl 4-(3-oxo... CAS#:98258-72-1 |
Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
~% methyl 4-(3-oxo... CAS#:98258-72-1 |
Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
~% methyl 4-(3-oxo... CAS#:98258-72-1 |
Literature: Journal of the Chemical Society, , vol. 105, p. 2172,2173 |
HS Code | 2918300090 |
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Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
Methyl 4-(3-Oxo-3-Phenyl-1-Propenyl) Benzoate (NMR) |
4-(3-Oxo-3-phenyl-propenyl)-benzoesaeure-methylester |
4-(3-oxo-3-phenyl-propenyl)-benzoic acid methyl ester |
4-(3-oxo-3-phenyl-1-propenyl)-benzoic acid,methyl ester |
4-carbomethoxychalcone |
METHYL 4-(3-OXO-3-PHENYLPROP-1-ENYL)BENZOATE |
METHYL 4-[(E)-3-OXO-3-PHENYL-PROP-1-ENYL]BENZOATE |
MFCD00216483 |