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2,3,6-Trimethylphenol Structure

2,3,6-Trimethylphenol

Chemical Properties

Melting point 59-62 °C(lit.)
Boiling point 215°C
Density  0.940
refractive index  1.5115 (estimate)
FEMA  3963 | 2,3,6-TRIMETHYLPHENOL
Flash point 100
storage temp.  Inert atmosphere,Room Temperature
solubility  methanol: 0.1 g/mL, clear
form  powder to crystal
pka 10.77±0.15(Predicted)
color  White to Orange to Green
Odor char. antiseptic odor
Water Solubility  1.42g/L at 25℃
JECFA Number 737
InChIKey QQOMQLYQAXGHSU-UHFFFAOYSA-N
LogP 2.80
CAS DataBase Reference 2416-94-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2,3,6-TRIMETHYLPHENOL
EWG's Food Scores 1
FDA UNII 05WKL2L5LJ
NIST Chemistry Reference Phenol, 2,3,6-trimethyl-(2416-94-6)
EPA Substance Registry System 2,3,6-Trimethylphenol (2416-94-6)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H315-H317-H318-H314
Precautionary statements P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338
Hazard Codes  C,Xi
Risk Statements  37/38-41-36/37/38-34-43-38
Safety Statements  26-39-24/25-45-36/37/39-36/37
RIDADR  UN 2430 8/PG 3
WGK Germany  1
TSCA  Yes
HS Code  2907.19.2000
HazardClass  8
PackingGroup  III
Hazardous Substances Data 2416-94-6(Hazardous Substances Data)
NFPA 704:
1
2 0

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