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2,4,6-Trimethylphenol Structure

2,4,6-Trimethylphenol

Chemical Properties

Melting point 70-72 °C(lit.)
Boiling point 220 °C(lit.)
Density  0.9809 (estimate)
vapor pressure  3.86Pa at 25℃
refractive index  1.5148 (estimate)
FEMA  4329 | 2,4,6-TRIMETHYLPHENOL
Flash point 220-221°C
storage temp.  under inert gas (argon)
form  Crystalline Needles
pka pK1:10.88 (25°C)
color  Beige
Odor at 0.10 % in propylene glycol. mild phenolic coffee grounds
Odor Type phenolic
biological source synthetic
Water Solubility  1.008g/L(25 ºC)
JECFA Number 2013
BRN  1859675
Henry's Law Constant 3.8×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application flavors and fragrances
InChI 1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKey BPRYUXCVCCNUFE-UHFFFAOYSA-N
SMILES Cc1cc(C)c(O)c(C)c1
LogP 2.73 at 25℃
CAS DataBase Reference 527-60-6(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,4,6-trimethyl-(527-60-6)
EPA Substance Registry System 2,4,6-Trimethylphenol (527-60-6)

Safety Information

Hazard Codes  C,N
Risk Statements  34-51/53
Safety Statements  26-36/37/39-45-24/25-61
RIDADR  UN 2430 8/PG 3
WGK Germany  2
RTECS  OX6590000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Aquatic Chronic 2
Eye Dam. 1
Skin Irrit. 2
STOT RE 2 Oral
STOT SE 3
Hazardous Substances Data 527-60-6(Hazardous Substances Data)

MSDS

Usage And Synthesis

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