425141
4-tert-Butyl-o-xylene
99%
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About This Item
Linear Formula:
(CH3)3CC6H3(CH3)2
CAS Number:
Molecular Weight:
162.27
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
InChI
1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3
SMILES string
Cc1ccc(cc1C)C(C)(C)C
InChI key
QRPPSTNABSMSCS-UHFFFAOYSA-N
assay
99%
form
liquid
refractive index
n20/D 1.498 (lit.)
bp
200-210 °C (lit.)
density
0.871 g/mL at 25 °C (lit.)
General description
4-tert-Butyl-o-xylene (1,2-dimethyl-4-tert-Butylbenzene, DMTBB) is a dimethylalkylbenzene. It has been synthesized by reacting o-xylene with tert-butyl alcohol over zeolite based catalytic system.
Application
4-tert-Butyl-o-xylene may be used as a starting material in the synthesis of 1,2-bis(bromomethyl )-4-tert-butylbenzene. It may also be used as a solvent in the synthesis of 2,7-di-tert-butylcarbazole, via ring closure of 4,4′-di-tert-butyl-2,2′-diaminobiphenyl in the presence of Nafion-H.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
179.6 °F - closed cup
flash_point_c
82 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Selective alkylation of xylenes by alcohols on zeolite catalysts.
Isakov YI, et al.
Russian Chemical Bulletin, 45(12), 2763-2768 (1996)
Poly (5-tert-butyl) benzothiophene: a soluble form of polyisothianaphthene with a large nonlinear optical response.
Drury A, et al.
Journal of Materials Chemistry, 8(11), 2353-2355 (1998)
Organic reactions catalyzed by solid superacids. 10. Perfluorinated sulfonic acid resin (Nafion-H) catalyzed ring closure reaction of 2, 2'-diaminobiphenyls. A preparative route to carbazoles.
Yamato T, et al.
The Journal of Organic Chemistry, 56(21), 6248-6250 (1991)
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