5-tert-Butyl-m-xylene

5-tert-Butyl-m-xylene

Names
IUPAC name 1-tert-Butyl-3,5-dimethylbenzene
Other names 2,6-Dimethyl-4-tert-butyl-benzene
Identifiers [1]
CAS Number	98-19-1
3D model (JSmol)	Interactive image
ChemSpider	7100
ECHA InfoCard	100.002.407
EC Number	202-647-6
PubChem CID	7378
UNII	2GX9N8TLC9
CompTox Dashboard (EPA)	DTXSID2052659
InChI InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3 Key: FZSPYHREEHYLCB-UHFFFAOYSA-N
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C
Properties
Chemical formula	C12H18
Molar mass	162.276 g·mol−1
Appearance	Colorless liquid
Density	0.86 g/mL
Melting point	−22 °C (−8 °F; 251 K)
Boiling point	207–209 °C (405–408 °F; 480–482 K)
Vapor pressure	0.4 hPa (20 °C)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Irritant
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	P261, P280, P304+P340, P305+P351+P338, P405, P501
Safety data sheet (SDS)	Safety Data Sheet
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

5-tert-Butyl-m-xylene is a chemical compound from the family of alkylbenzenes and is a colorless liquid at room temperature.

It can be used for the synthesis of polyalkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6)-triisopropylphenyl) disulfide. ^[2]

It is also used as a precursor in the synthesis of xylometazoline. ^{[3] [4]}

References

1. "1-tert-Butyl-3,5-dimethylbenzene". alfa.com. 2013-10-25. Archived from the original on 2017-08-25. Retrieved 2025-01-20.
2. Sigma-Aldrich Co. , 1-tert-Butyl-3,5-dimethylbenzene, 98% .
3. "Synthetic method of xylometazoline hydrochloride compound". Google Patents. 2010-09-19. Retrieved 2025-01-20.
4. Golander, Yechiel; DeWitte, Wayne J. (1985). "Xylometazoline Hydrochloride". Analytical Profiles of Drug Substances. Vol. 14. Elsevier. pp. 135–156. doi:10.1016/s0099-5428(08)60579-1. ISBN   978-0-12-260814-8.