METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE structure
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Common Name | METHYL(2E,4S)-(-)-4-(PHENYLMETHOXY)PENT-2-ENOATE | ||
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CAS Number | 112489-57-3 | Molecular Weight | 220.26400 | |
Density | 1.055g/cm3 | Boiling Point | 311.8ºC at 760mmHg | |
Molecular Formula | C13H16O3 | Melting Point | N/A | |
MSDS | N/A | Flash Point | 127.5ºC |
Name | Methyl (2E,4S)-4-(benzyloxy)-2-pentenoate |
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Synonym | More Synonyms |
Density | 1.055g/cm3 |
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Boiling Point | 311.8ºC at 760mmHg |
Molecular Formula | C13H16O3 |
Molecular Weight | 220.26400 |
Flash Point | 127.5ºC |
Exact Mass | 220.11000 |
PSA | 35.53000 |
LogP | 2.32090 |
Vapour Pressure | 0.000552mmHg at 25°C |
Index of Refraction | 1.511 |
Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. Chronic: No information found. 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. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. 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# 112489-57-3: 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: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in methanol, diethylether, thf Specific Gravity/Density: Molecular Formula: Molecular Weight: 220.27 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Moisture, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 112489-57-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl(2E,4S)-(-)-4-(phenylmethoxy)pent-2-enoate - 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: 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 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 37/39 Wear suitable gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 112489-57-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 112489-57-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 112489-57-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
HS Code | 2918990090 |
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~0% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Annunziata, Rita; Cinquini, Mauro; Cozzi, Franco; Dondio, Gulio; Raimondi, Laura Tetrahedron, 1987 , vol. 43, # 10 p. 2369 - 2380 |
~84% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Enders, Dieter; Jandeleit, Bernd; Von Berg, Stefan Journal of Organometallic Chemistry, 1997 , vol. 533, # 1-2 p. 219 - 236 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Organic letters, , vol. 3, # 22 p. 3591 - 3593 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Tetrahedron, , vol. 44, # 2 p. 491 - 502 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Tetrahedron, , vol. 43, # 8 p. 1895 - 1902 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Journal of Organometallic Chemistry, , vol. 533, # 1-2 p. 219 - 236 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Journal of Organometallic Chemistry, , vol. 533, # 1-2 p. 219 - 236 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Organic Letters, , vol. 10, # 10 p. 2079 - 2081 |
~% METHYL(2E,4S)-(... CAS#:112489-57-3 |
Literature: Tetrahedron Asymmetry, , vol. 2, # 12 p. 1329 - 1342 |
Precursor 9 | |
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DownStream 0 |
HS Code | 2918990090 |
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Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
2,4-Heptadienoic acid,6-oxo-,methyl ester,(Z,Z) |
Methyl-6-oxo-2,4-trans,trans-heptadienoat |
methyl (2E,4E)-6-oxohepta-2,4-dienoate |
methyl (2E)-(4S)-4-benzyloxypent-2-enoate |
2,4-Heptadienoic acid,6-oxo-,methyl ester,(E,Z) |
(E)-(S)-[MeCH(OCH2C6H5)CHCHCO2Me] |
(2E,4E)-6-Oxohepta-2,4-diensaeure-methylester |
methyl 6-oxo-2(E),4(E)-heptadienoate |