2,3,6-TRIMETHYLPHENOL

2,3,6-TRIMETHYLPHENOL
PRODUCT IDENTIFICATION
CAS NO.	2416-94-6
EINECS NO.	219-330-3
FORMULA	(CH₃)₃C₆H₂OH
MOL WT.	136.19
H.S. CODE	2907.19.8000
TOXICITY	Oral Rat LD50: >2,000 mg/kg
SYNONYMS	2,3,6-Trimethylphenol; 1-Hydroxy-2,3,6-trimethylbenzene;
3-Hydroxypseudocumene; Other RN: 50356-13-3
SMILES	c1(c(c(ccc1C)C)O)C
CLASSIFICATION	Phenol
EXTRA NOTES	FEMA No.: 3963
PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE	white to yellowish crystal
MELTING POINT	58 C
BOILING POINT	226 C
DENSITY	0.94
SOLUBILITY IN WATER	Insoluble
SOLVENT SOLUBILITY
pKa
VAPOR DENSITY
log P	2.67 (Octanol-water)
VAPOR PRESSURE
HENRY LAW CONSTANT	3.94E-06 (atm-m3/mole at 25 C)
OH RATE CONSTANT	1.31E-10 (cm3/molecule-sec at 25 C Atmospheric)
AUTOIGNITION
NFPA RATINGS	Health hazard: 2, Fire: 1, Reactivity Hazard: 0
REFRACTIVE INDEX
FLASH POINT
STABILITY	Stable under ordinary conditions,
EXTERNAL LINKS & GENERAL DESCRIPTION
Wikipedia Linking Material Safety Data Sheet - SI Group Inc Google Scholar Search Drug Information Portal (U.S. National Library of Medicine) - 2,3,6-Trimethylphenol PubChem Compound Summary - 2,3,6-Trimethylphenol Flavouring Substances - Chemical Group 25 IPCS INCHEM - PHENOL AND PHENOL DERIVATIVES
SALES SPECIFICATION
APPEARANCE	white to yellowish crystal
ASSAY	99.0% min
MELTING POINT	59 - 62 C
TRANSPORTATION
PACKING
HAZARD CLASS	8 (Packing group: III)
UN NO.	2430
SAFETY INFORMATION
HAZARD OVERVIEW	OSHA Hazards: Irritant. Corrosive to skin, eyes, and respiratory system. Incompatibilities: oxidizing agents, alkalis (bases), acid chlorides, and acid anhydrides, brass, corrodes steel, copper and copper alloys.
GHS
SIGNAL WORD	Danger
PICTOGRAMS
HAZARD STATEMENTS	H303 May be harmful if swallowed. H315 Causes skin irritation. H318 Causes serious eye damage. H335 May cause respiratory irritation. H401 Toxic to aquatic life.
PRECAUTIONARY STATEMENTS	P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P280 Wear protective gloves/ eye protection/ face protection. P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
EC DIRECTIVES
HAZARD CODES	C Corrosive
RISK PHRASES	34 Causes burns
SAFETY PHRASES	26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
PRICE INFORMATION