Name | 1-(Boc-amino)cyclohexanecarboxylic Acid |
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Synonyms |
1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylic acid
1-(Boc-amino)cyclohexanecarboxylic acid MFCD00273427 Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]- N-Boc-1-amino-1-cyclohexanecarboxylic acid 1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid Boc-1-aminocyclohexane-1-carboxylic acid 1-Tert-Butoxycarbonylamino-Cyclohexanecarboxylic Acid |
Density | 1.1±0.1 g/cm3 |
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Boiling Point | 391.2±21.0 °C at 760 mmHg |
Melting Point | 176-178 °C (dec.) |
Molecular Formula | C12H21NO4 |
Molecular Weight | 243.299 |
Flash Point | 190.4±22.1 °C |
Exact Mass | 243.147064 |
PSA | 75.63000 |
LogP | 2.29 |
Vapour Pressure | 0.0±1.9 mmHg at 25°C |
Index of Refraction | 1.497 |
Storage condition | Store at 0°C |
Synonym:N-tert-Butylcarbonylaminocyclohexanecarboxylic acid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Harmful if inhaled. 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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. 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 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. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. 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: 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# 115951-16-1: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 176.50-177.50 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: Specific Gravity/Density: Molecular Formula: C12H21NO4 Molecular Weight: 243.3 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents, acids, amines, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 115951-16-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid - 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 115951-16-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 115951-16-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 115951-16-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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Hazard Codes | Xi |
RIDADR | NONH for all modes of transport |
WGK Germany | 3 |
HS Code | 2924299090 |
~69% 115951-16-1 |
Literature: PROZYMEX A/S; PEDERSEN, John; LAURITZEN, Conni Patent: WO2012/119941 A1, 2012 ; Location in patent: Page/Page column 114 ; WO 2012/119941 A1 |
~20% 115951-16-1 |
Literature: Bonjouklian, Rosanne; Cohen, Jeffrey Daniel; Gruber, Joseph Michael; Johnson, Douglas Webb; Jungheim, Louis Nickolaus; Kroin, Julian Stanley; Lander, Peter Ambrose; Lin, Ho-Shen; Lohman, Mark Christopher; Muehl, Brian Stephen; Norman, Bryan Hurst; Patel, Vinod Francis; Richett, Michael Enrico; Thrasher, Kenneth Jeff; Vepachedu, Sreenivasarao; White, Wesley Todd; Xie, Yongping; York, Jeremy Schulenburg; Parkhurst, Brandon Lee Patent: US2003/100576 A1, 2003 ; US 20030100576 A1 |
~84% 115951-16-1 |
Literature: Costanzo, Michael J.; Almond Jr., Harold R.; Hecker, Leonard R.; Schott, Mary R.; Yabut, Stephen C.; Zhang, Han-Cheng; Andrade-Gordon, Patricia; Corcoran, Thomas W.; Giardino, Edward C.; Kauffman, Jack A.; Lewis, Joan M.; De Garavilla, Lawrence; Haertlein, Barbara J.; Maryanoff, Bruce E. Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 1984 - 2008 |
~% 115951-16-1 |
Literature: US5250517 A1, ; US 5250517 A |
Precursor 3 | |
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DownStream 3 | |
HS Code | 2924299090 |
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Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |