ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate

Modify Date: 2024-01-17 17:15:28

ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate Structure
ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate structure
Common Name ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate
CAS Number 7507-68-8 Molecular Weight 212.28500
Density 0.992g/cm3 Boiling Point 55-56ºC (3 mmHg)
Molecular Formula C12H20O3 Melting Point N/A
MSDS N/A Flash Point 111.7ºC

 Names

Name ethyl 1,3,3-trimethyl-2-oxocyclohexane-1-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.992g/cm3
Boiling Point 55-56ºC (3 mmHg)
Molecular Formula C12H20O3
Molecular Weight 212.28500
Flash Point 111.7ºC
Exact Mass 212.14100
PSA 43.37000
LogP 2.33500
Index of Refraction 1.454-1.456

 MSDS

Name: 6-Carbethoxy-2 2 6-trimethylcyclohexanone 97% Material Safety Data Sheet
Synonym: Ethyl-1,3,3-trimethyl-2-oxo-cyclohexanecarboxylat
CAS: 7507-68-8
Section 1 - Chemical Product MSDS Name:6-Carbethoxy-2 2 6-trimethylcyclohexanone 97% Material Safety Data Sheet
Synonym:Ethyl-1,3,3-trimethyl-2-oxo-cyclohexanecarboxylat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7507-68-8 6-Carbethoxy-2,2,6-trimethylcyclohexan 97 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
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: 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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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:
Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. 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# 7507-68-8: 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: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 55.0 - 56.0 deg C @ 3.00mm Hg
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: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C12H20O3
Molecular Weight: 212.29

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7507-68-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Carbethoxy-2,2,6-trimethylcyclohexanone - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7507-68-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7507-68-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7507-68-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases 24/25

 Synthetic Route

~78%

ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate Structure

ethyl (1R)-1,3,...

CAS#:7507-68-8

Literature: Venkatesha, Manjunatha A.; Suresh, Hariprasad Journal of the Serbian Chemical Society, 2013 , vol. 78, # 6 p. 759-768+S57-S61

~%

ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate Structure

ethyl (1R)-1,3,...

CAS#:7507-68-8

Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , p. 1943 - 1945 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 2013 - 2014

~%

ethyl (1R)-1,3,3-trimethyl-2-oxo-cyclohexane-1-carboxylate Structure

ethyl (1R)-1,3,...

CAS#:7507-68-8

Literature: Bulletin de la Societe Chimique de France, , p. 1499

 Synonyms

1,3,3-trimethyl-2-oxo-cyclohexanecarboxylic acid ethyl ester
ethyl 1,3,3-trimethyl-2-oxocyclohexanecarboxylate
6-carboethoxy-2,2,6-trimethylcyclohexanone
6-CARBETHOXY-2,2,6-TRIMETHYLCYCLOHEXANONE
MFCD00143496
1,3,3-Trimethyl-2-oxo-cyclohexancarbonsaeure-aethylester
2-ethoxycarbonyl-2,6,6-trimethylcyclohexanone
1,3,3-Trimethyl-2-oxocyclohexan-1-carbonsaeure-methylester