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115951-16-1

115951-16-1 structure
115951-16-1 structure

Name 1-(Boc-amino)cyclohexanecarboxylic Acid
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
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
Name: 1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid Material Safety Data Sheet
Synonym: N-tert-Butylcarbonylaminocyclohexanecarboxylic acid
CAS: 115951-16-1
Section 1 - Chemical Product MSDS Name:1-(tert-Butylcarbonyl)aminocyclohexanecarboxylic acid Material Safety Data Sheet
Synonym:N-tert-Butylcarbonylaminocyclohexanecarboxylic acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
115951-16-1 1-(tert-Butylcarbonyl)aminocyclohexane >97 unlisted
Hazard Symbols: XN
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
Hazard Codes Xi
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2924299090

~69%

115951-16-1 structure

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 structure

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 structure

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 structure

115951-16-1

Literature: US5250517 A1, ; US 5250517 A
HS Code 2924299090
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%