2,3,6-Trimethylphenol 2416-94-6

A white or pale yellow solid.

2,3,6-Trimethylphenol Basic information
Product Name:	2,3,6-Trimethylphenol
CAS:	2416-94-6
MF:	C9H12O
MW:	136.19
EINECS:	219-330-3
Mol File:	2416-94-6.mol
2,3,6-Trimethylphenol Chemical Properties
Melting point	59-62 °C(lit.)
Boiling point	215°C
density	0.94
FEMA	3963 \| 2,3,6-TRIMETHYLPHENOL
refractive index	1.5115 (estimate)
Fp	100
storage temp.	Inert atmosphere,Room Temperature
solubility	methanol: 0.1 g/mL, clear
pka	10.77±0.15(Predicted)
form	powder to crystal
color	White to Orange to Green
Odor	char. antiseptic odor
Water Solubility	1.42g/L at 25℃
JECFA Number	737
Henry's Law Constant	2.5×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKey	QQOMQLYQAXGHSU-UHFFFAOYSA-N
SMILES	Cc1ccc(C)c(O)c1C
LogP	2.8
CAS DataBase Reference	2416-94-6(CAS DataBase Reference)
NIST Chemistry Reference	Phenol, 2,3,6-trimethyl-(2416-94-6)
EPA Substance Registry System	2,3,6-Trimethylphenol (2416-94-6)

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Mass Spectrometry Analysis

GC-MS / LC-MS/MS: Qualitative and Quantitative Analysis
ICP-MS: Trace Metal Elements (ppb Level)
TOF-MS: Precise Molecular Weight Determination

Thermal Analysis Methods

Thermogravimetric Analysis (TGA)
Differential Scanning Calorimetry (DSC)
Differential Thermal Analysis (DTA)