2,2,6-trimethylcyclohexanone

Modify Date: 2024-01-02 21:52:26

2,2,6-trimethylcyclohexanone Structure
2,2,6-trimethylcyclohexanone structure
Common Name 2,2,6-trimethylcyclohexanone
CAS Number 2408-37-9 Molecular Weight 140.22300
Density 0.904 g/mL at 25 °C(lit.) Boiling Point 178-179 °C(lit.)
Molecular Formula C9H16O Melting Point N/A
MSDS N/A Flash Point 125 °F

 Use of 2,2,6-trimethylcyclohexanone


2,2,6-Trimethylcyclohexanone, an intermediate, can be used in the synthesis of β-ionone[1].

 Names

Name 2,2,6-trimethylcyclohexanone
Synonym More Synonyms

 2,2,6-trimethylcyclohexanone Biological Activity

Description 2,2,6-Trimethylcyclohexanone, an intermediate, can be used in the synthesis of β-ionone[1].
Related Catalog
References

[1]. Tibor Breining, et al. A Palladium-Catalyzed Synthesis of β-Ionone from 2,2,6-Trimethylcyclohexanone, Synthetic Communications, 17:1, 85-88.

 Chemical & Physical Properties

Density 0.904 g/mL at 25 °C(lit.)
Boiling Point 178-179 °C(lit.)
Molecular Formula C9H16O
Molecular Weight 140.22300
Flash Point 125 °F
Exact Mass 140.12000
PSA 17.07000
LogP 2.40170
Vapour Pressure 0.986mmHg at 25°C
Index of Refraction n20/D 1.447(lit.)
Storage condition Flammables area

 MSDS

Name: 2 2 6-Trimethylcyclohexanone 98.5+% (GC) Material Safety Data Sheet
Synonym: 2,2,6-Trimethylcyclohexan-1-one; Cyclohexanone, 2,2,6-trimethyl-; Trimethylcyclohexanon
CAS: 2408-37-9
Section 1 - Chemical Product MSDS Name:2 2 6-Trimethylcyclohexanone 98.5+% (GC) Material Safety Data Sheet
Synonym:2,2,6-Trimethylcyclohexan-1-one; Cyclohexanone, 2,2,6-trimethyl-; Trimethylcyclohexanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2408-37-9 2,2,6-Trimethylcyclohexanone (GC) 98.5+ 219-309-9
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation.
May cause burning sensation in the chest.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate to extinguish fire. Do NOT use straight streams of water. 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:
Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame.
Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 2408-37-9: 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: 61.0 - 62.0 deg C @ 15.00mm H
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 51 deg C ( 123.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9040g/cm3
Molecular Formula: C19H16O
Molecular Weight: 260.33

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2408-37-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2,6-Trimethylcyclohexanone (GC) - 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: KETONES, LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1224
Packing Group: III
IMO
Shipping Name: KETONES, LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1224
Packing Group: III
RID/ADR
Shipping Name: KETONES, N.O.S.
Hazard Class: 3
UN Number: 1224
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
WGK (Water Danger/Protection)
CAS# 2408-37-9: No information available.
Canada
CAS# 2408-37-9 is listed on Canada's DSL List.
CAS# 2408-37-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2408-37-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases 10
Safety Phrases S23-S24/25
RIDADR UN 1224 3/PG 3
WGK Germany 3
Packaging Group III
Hazard Class 3
HS Code 2914299000

 Synthetic Route

 Customs

HS Code 2914299000
Summary 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

2,2,6-trimethyl-cyclohexanon
EINECS 219-309-9
2 2 6-TRIMETHYLCYCLOHEXANONE
MFCD00045550
FEMA 3473
2,6,6-trimethyl-cyclohexanone
2,2,6,6-TETRAMETHYL-4-PIPERIDONE
2,2,6-trimethyl-1-cyclohexanone
Cyclohexanone,2,2,6-trimethyl
2,6,6-Dimethylcyclohexanone
1,1,3-Trimethyl-2-cyclohexanone
2,6,6-trimethyl-cyclohexan-1-one
2,2,6-Trimethylcyclohexan-1-one