Name | methyl 4-oxotetrahydrothiophene-3-carboxylate |
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Synonyms |
methyl tetrahydro-4-oxo-3-thenoate
4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE Methyl 4-oxotetrahydrothiophene-3-carboxylate Methyl4-oxotetrahydrothiophene-3-carboxylate 3-oxo-4-methoxycarbonyltetrahydrothiophene methyl 4-keto-tetrahydrothiophene-3-carboxylate methyl 4-oxo-tetrahydro-thiophene-3-carboxylate Methyl 4-oxotetrahydro-3-thiophenecarboxylate Methyl tetrahydro-4-oxo-3-thiophenecarboxylate 4-Carbomethoxytetrahydro-3-thiophenone 4-carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone Methyl 3-oxotetrahydrothiophene-4-carboxylate 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester Methyl 4-oxotetrahydrothiophene-3-carboxylate,Tech. 4-oxo-tetrahydro-thiophene-3-carboxylic acid methyl ester METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate |
Density | 1.3±0.1 g/cm3 |
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Boiling Point | 248.4±40.0 °C at 760 mmHg |
Melting Point | 38-41ºC |
Molecular Formula | C6H8O3S |
Molecular Weight | 160.191 |
Flash Point | 116.7±15.4 °C |
Exact Mass | 160.019409 |
PSA | 68.67000 |
LogP | -0.10 |
Vapour Pressure | 0.0±0.5 mmHg at 25°C |
Index of Refraction | 1.528 |
Storage condition | 2~8℃ |
Synonym:Methyl tetrahydro-4-oxo-3-thenoat 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. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2689-68-1: Personal Protective Equipment Eyes: Not available. 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: Solid Color: colorless Odor: pungent odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 95 deg C @3.5mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H8O3S Molecular Weight: 160 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2689-68-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 4-oxotetrahydrothiophene-3-carboxylate - 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 No information available. IMO No information available. RID/ADR No information available. 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# 2689-68-1: No information available. Canada CAS# 2689-68-1 is listed on Canada's DSL List. CAS# 2689-68-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2689-68-1 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi: Irritant; |
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Risk Phrases | R36/37/38 |
Safety Phrases | 26-37/39 |
HS Code | 2934999090 |
~37% 2689-68-1 |
Literature: LAILA NUTRACEUTICALS Patent: US2010/68178 A1, 2010 ; Location in patent: Page/Page column 17 ; |
~52% 2689-68-1 |
Literature: MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 24-25 ; |
~46% 2689-68-1 |
Literature: ELI LILLY AND COMPANY Patent: WO2004/94400 A2, 2004 ; Location in patent: Page 41 ; WO 2004/094400 A2 |
~40% 2689-68-1 |
Literature: Liu, Hsing-Jang; Ngooi, Teng Ko Canadian Journal of Chemistry, 1982 , vol. 60, p. 437 - 439 |
Precursor 3 | |
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DownStream 10 | |
HS Code | 2934999090 |
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Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |