2,3,6-Trimethylphenol

2,3,6-Trimethylphenol
Identifiers
CAS Number	2416-94-6 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL3182738;
ChemSpider	16119;
ECHA InfoCard	100.017.574
EC Number	219-330-3;
PubChem CID	17016;
UNII	05WKL2L5LJ;
CompTox Dashboard (EPA)	DTXSID6022187 ;
	InChI InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 Key: QQOMQLYQAXGHSU-UHFFFAOYSA-N;
	SMILES CC1=C(C(=C(C=C1)C)O)C;
Properties
Chemical formula	C9H12O
Molar mass	136.194 g·mol−1
Appearance	white solid
Melting point	72 °C (162 °F; 345 K)
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H315, H318
Precautionary statements	P260, P261, P264, P271, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

2,3,6-Trimethylphenol is an organic compound with the formula (CH₃)₃C₆H₂OH. As a precursor to vitamin E, it is the most widely used of the several isomers of trimethylphenol.

2,3,6-Trimethylphenol is produced industrially by the methylation of m-cresol with methanol in the presence of a solid acid.^[2]

References

^ "2,3,6-Trimethylphenol". pubchem.ncbi.nlm.nih.gov. Retrieved 15 December 2021.
^ Fiege, Helmut; Voges, Heinz-Werner; Hamamoto, Toshikazu; Umemura, Sumio; Iwata, Tadao; Miki, Hisaya; Fujita, Yasuhiro; Buysch, Hans-Josef; Garbe, Dorothea; Paulus, Wilfried (2000). "Phenol Derivatives". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a19_313. ISBN 3527306730.

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Identifiers

CAS Number	2416-94-6^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL3182738
ChemSpider	16119
ECHA InfoCard	100.017.574
EC Number	219-330-3
PubChem CID	17016
UNII	05WKL2L5LJ
CompTox Dashboard (EPA)	DTXSID6022187
InChI InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 Key: QQOMQLYQAXGHSU-UHFFFAOYSA-N
SMILES CC1=C(C(=C(C=C1)C)O)C
Properties
Chemical formula	C₉H₁₂O
Molar mass	136.194 g·mol⁻¹
Appearance	white solid
Melting point	72 °C (162 °F; 345 K)
Hazards
GHS labelling:^[1]
Pictograms
Signal word	Danger
Hazard statements	H315, H318
Precautionary statements	P260, P261, P264, P271, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references