171058-95-0

171058-95-0 structure
171058-95-0 structure
  • Name: 4-tert-butyl-calix[4]arene-crown-4-complex
  • Chemical Name: 4-tert-butyl-calix[4]arene-crown-4-complex
  • CAS Number: 171058-95-0
  • Molecular Formula: C40H48O4
  • Molecular Weight: 592.80700
  • Create Date: 2018-12-06 19:45:31
  • Modify Date: 2024-01-08 19:52:29

Name 4-tert-butyl-calix[4]arene-crown-4-complex
Synonyms 4-TERT-BUTYLCALIX(4)-CROWN-4
5,11,17,23-Tetrakis(1,1-dimethyl)-25,26-dihydroxy-27,28-crown-4-calix[4]arene
25,27-(3,6-dioxaocta-1,8-diyl)oxy-26,28-dihydroxy-5,11,17,23-tetra-tert-butyl-calix[4]arene
5,11,17,23-Tetrakis(1,1-dimethylethyl)-25,27-(crown-4)-26,28-dihydroxycalix[4]arene
p-t-butylcalix[4]crown-4
MFCD02093902
p-tert-butylcalix[4]crown-4
Density 1.069g/cm3
Boiling Point 766.4ºC at 760 mmHg
Molecular Formula C40H48O4
Molecular Weight 592.80700
Flash Point 417.3ºC
Exact Mass 592.35500
PSA 36.92000
LogP 7.72710
Vapour Pressure 2.48E-24mmHg at 25°C
Index of Refraction 1.548
Name: 4-Tert.-Butyl-Calix[4]arene-Crown-4-Complex Material Safety Data Sheet
Synonym: None Known
CAS: 171058-95-0
Section 1 - Chemical Product MSDS Name:4-Tert.-Butyl-Calix[4]arene-Crown-4-Complex Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
171058-95-0 4-Tert.-Butyl-Calix[4]arene-Crown-4-Co 98 unlisted
Hazard Symbols: XI
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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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. Do NOT use mouth-to-mouth resuscitation.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 171058-95-0: 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: Crystalline powder
Color: fine - white to almost white
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 available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Not available.
Specific Gravity/Density:
Molecular Formula: C50H66O6
Molecular Weight: 762.4584

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 171058-95-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Tert.-Butyl-Calix[4]arene-Crown-4-Complex - 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:
WGK (Water Danger/Protection)
CAS# 171058-95-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 171058-95-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 171058-95-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S37-S39

~53%

171058-95-0 structure

171058-95-0

Literature: Chawla, Har Mohindra; Hundal, Geeta; Kumar; Singh, Parminder Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2012 , vol. 72, # 3-4 p. 323 - 330

~56%

171058-95-0 structure

171058-95-0

Literature: Gruen, Alajos; Koszegi, Eva; Bitter, Istvan Tetrahedron, 2004 , vol. 60, # 23 p. 5041 - 5048

~68%

171058-95-0 structure

171058-95-0

Literature: Alekseeva, Elena A.; Basok, Stepan S.; Mazepa, Alexander V.; Gren, Andrei I. Mendeleev Communications, 2007 , vol. 17, # 6 p. 330 - 331

~71%

171058-95-0 structure

171058-95-0

Literature: Alekseeva, Elena A.; Basok, Stepan S.; Mazepa, Alexander V.; Gren, Andrei I. Mendeleev Communications, 2007 , vol. 17, # 6 p. 330 - 331

~%

171058-95-0 structure

171058-95-0

Literature: Csokai, Viktor; Gruen, Alajos; Bitter, Istvan Tetrahedron Letters, 2003 , vol. 44, # 25 p. 4681 - 4684

~%

171058-95-0 structure

171058-95-0

Literature: Gruen, Alajos; Koszegi, Eva; Bitter, Istvan Tetrahedron, 2004 , vol. 60, # 23 p. 5041 - 5048

~%

171058-95-0 structure

171058-95-0

Literature: Gruen, Alajos; Koszegi, Eva; Bitter, Istvan Tetrahedron, 2004 , vol. 60, # 23 p. 5041 - 5048