2,3,6-Trimethylphenol

  • 3-Hydroxypseudocumene
Formula
C9H12O
Structure
Uses
Starting material for vitamin e, co-monomer for the modification of polyphenylene oxide resins.

Registry Numbers and Inventories.
CAS
2416-94-6
EC (EINECS/ELINCS)
219-330-3
UN (DOT)
2430
Beilstein/Gmelin
2042207
Beilstein Reference
3-06-00-01831
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed

Properties.
Formula
C9H12O
Formula mass
136.19
Melting point, °C
63-64
Boiling point, °C
226
Vapor pressure, mmHg
0.07 (25 C)
Density
1.189 g/cm3 (20 C)
Solubility in water
Insoluble
Surface tension
30.83 g/s2 (70 C)
Refractive index
1.368 (20 C)
pKa/pKb
10.77 (pKa)
Partition coefficient, pKow
2.67
Heat of fusion
22.1 kJ/mol
Heat of vaporization
47.8 kJ/mol

Hazards and Protection.
Storage
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Handling
All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.
Protection
Wear appropriate protective gloves, clothing and goggles.
Respirators
Wear positive pressure self-contained breathing apparatus (SCBA).
Small spills/leaks
ELIMINATE all ignition sources. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
Stability
No data.

Fire.
Flash Point,°C
100
Fire fighting
Small Fires: Dry chemical, carbon dioxide or water spray. Large Fires: Dry chemical, carbon dioxide, alcohol-resistant foam or water spray.
Fire potential
Combustible material: may burn but does not ignite readily.
Hazards
When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.

Health.
Exposure effects
Abnormally low blood pressure, reduced body temperature, rapid breathing, and rapid heart rate may develop with severe toxicity. Initial CNS excitation, including seizures, is commonly followed by CNS depression ranging from lethargy to coma and death. Fetotoxicity and skeletal abnormalities have been reported in animal experiments.
   Ingestion
Phenol is extremely corrosive and may cause oral and esophageal burns and abdominal pain following ingestion.
   Inhalation
Tachypnea is commonly reported; pulmonary edema and bronchospasm may also occur. Stridor has been reported from exposure to high concentrations of phenol. Respiratory arrest occurred 30 minutes post ingestion of 26.7 Grams of phenol in one case.
   Skin
Phenol is corrosive to the skin, but because of anesthetic qualities, it will numb rather than causing a burning pain on contact. Skin becomes red and swollen, then white and opaque. Deep burns result that may become gangrenous.
   Eyes
See Inhalation.

First aid
 
   Ingestion
Dilution - may enhance absorption of phenol, and should be avoided. Ipecac induced vomiting is not recommended because of the potential for cns depression and seizures. Activated charcoal - may limit systemic toxicity if administered soon after ingestion, but may interfere with endoscopic evaluation of gastrointestinal burns.
   Inhalation
Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with beta2 agonist and corticosteroid aerosols.
   Skin
Remove phenol with undiluted polyethylene glycol 300 to 400 or isopropyl alcohol prior to washing, if readily available. Wash exposed areas twice with large quantities of water. A physician may need to examine the exposed area if irritation or pain persist after the area is washed.
   Eyes
Irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility.

Transport.
UN number
2430
Response guide
Hazard class
8
Packing Group
I; II; III
 
21. Phenols. Cresols