2-Butenoic acid,2-cyano-3-methyl-, ethyl ester structure
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Common Name | 2-Butenoic acid,2-cyano-3-methyl-, ethyl ester | ||
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CAS Number | 759-58-0 | Molecular Weight | 153.17800 | |
Density | 1.014 g/mL at 25ºC(lit.) | Boiling Point | 98-99ºC1 mm Hg(lit.) | |
Molecular Formula | C8H11NO2 | Melting Point | ca 20℃ | |
MSDS | Chinese USA | Flash Point | 224 °F | |
Symbol |
GHS07 |
Signal Word | Warning |
Name | ethyl 2-cyano-3-methylcrotonate |
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Synonym | More Synonyms |
Density | 1.014 g/mL at 25ºC(lit.) |
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Boiling Point | 98-99ºC1 mm Hg(lit.) |
Melting Point | ca 20℃ |
Molecular Formula | C8H11NO2 |
Molecular Weight | 153.17800 |
Flash Point | 224 °F |
Exact Mass | 153.07900 |
PSA | 50.09000 |
LogP | 1.40948 |
Index of Refraction | n20/D 1.464(lit.) |
Storage condition | 2-8℃ |
Synonym: 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. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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: 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 759-58-0: 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: Clear liquid Color: colorless to slightly yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 120 - 122 deg C @ 2 Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 107 deg C ( 224.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: immiscible with water Specific Gravity/Density: 1.0140g/cm3 Molecular Formula: C8H11NO2 Molecular Weight: 153.0825 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 759-58-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 2-cyano-3-methyl-2-butenoate - 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# 759-58-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 759-58-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 759-58-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Symbol |
GHS07 |
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Signal Word | Warning |
Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
Precautionary Statements | P261-P280-P305 + P351 + P338 |
Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
Hazard Codes | Xn |
Risk Phrases | R20/21/22 |
Safety Phrases | S26-S37-S39 |
RIDADR | UN 3276 |
WGK Germany | 3 |
Packaging Group | III |
Hazard Class | 6.1 |
HS Code | 2926909090 |
~96% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Ying, An-Guo; Wu, Cheng-Lin; He, Guang-Hong Asian Journal of Chemistry, 2012 , vol. 24, # 2 p. 653 - 656 |
~82% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6136982 A1, 2000 ; |
~% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Polish Journal of Chemistry, , vol. 52, p. 1389 - 1394 |
~% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Journal of Organic Chemistry, , vol. 26, p. 2738 - 2740 |
~% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Chemische Berichte, , vol. 48, p. 261 |
~% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Chemische Berichte, , vol. 48, p. 261 |
~% 2-Butenoic acid... CAS#:759-58-0 |
Literature: Chemische Berichte, , vol. 33, p. 3532 |
HS Code | 2926909090 |
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Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
Phospha-Michael additions to activated internal alkenes: steric and electronic effects.
J. Org. Chem. 77(3) , 1378-85, (2012) The addition of P(O)-H bonds to internal alkenes has been accomplished under solvent-free conditions without the addition of a catalyst or radical initiator. Using a prototypical secondary phosphine o... |
ethyl 2-cyano-3-methylbut-2-enoate |
MFCD00009135 |