84651-11-6

Basic information

• Product Name: 1-butyl-2,3,6-trimethylbenzene
• Synonyms: 1-butyl-2,3,6-trimethylbenzene
• CAS NO: 84651-11-6
• Molecular Weight: 176.302
• Mol File: 84651-11-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-butyl-2,3,6-trimethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-butyl-2,3,6-trimethylbenzene(84651-11-6)
• EPA Substance Registry System: 1-butyl-2,3,6-trimethylbenzene(84651-11-6)

Safety Data

• Hazardous Substances Data: 84651-11-6(Hazardous Substances Data)

Upstream product

• 25312-34-9 alpha-ionol 

Relevant articles and documents

Dehydration Studies of α- and β-Ionol. II With Toluene-p-sulfonic Acid

α-Ionol (2), when made to react with a 5percent solution of toluene-p-sulfonic acid at 20 deg C for 120 h, gave in 20percent yield one major dehydration product (1'E)-6-(buta-1',3'dienyl)-1,5,5-trimethylcyclohex-1-ene (4a) together with trace quantities of the (1'Z)-isomer (4b). β-Ionol (3) under similar conditions gave after 10 min in 84percent yield (6E,2'E)- and (6Z,2'E)-6-(but-2'-enylidene)-1,5,5-trimethylcyclohex-1-ene (1a) and (1b).Minor products from this reaction included the isomeric trienes (1c) and (1d).However, at 80 deg C the alcohols (2) and (3) gave in about 60percent yields complex mixtures of dehydration products which included 1-butyl-2,3,6-trimethylbenzene (7), 1-butyl-2,4,6-trimethylbenzene (8), 1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene (9), and 1,1,4,4-tetramethyl-2,3,4,5,6,7-hexahydro-1H-indene (10).Minor products obtained at 80 deg C included 1,1,4,4- tetramethyl-2,4,5,6-tetrahydro-1H-indene (11) and 1,4,4,7a-tetramethyl-5,6,7,7a-tetrahydro-4H-indene (12).The trienes (1a-d) and (4a,b) when reacted with toluene-p-sulfonic acid at 80 deg C also yielded the compounds (7), (8), (9) and (10).Reaction pathways are suggested for the formation of all identified compounds