1-METHYL-1-CYCLOHEXENE

1-METHYL-1-CYCLOHEXENE Basic information

Product Name:	1-METHYL-1-CYCLOHEXENE
Synonyms:	1-methyl-cyclohexen;1-Methylcyclohexene-1;alpha-Methylcyclohexene;cyclohexene,1-methyl-;1-METHYL-1-CYCLOHEXENE;1-METHYLCYCLOHEXENE;1-METHYLCYCLOHEX-1-ENE;2,3,4,5-TETRAHYDROTOLUENE
CAS:	591-49-1
MF:	C7H12
MW:	96.17
EINECS:	209-718-0
Product Categories:	Alkenes;Building Blocks;Chemical Synthesis;Cyclic;Organic Building Blocks
Mol File:	591-49-1.mol

1-METHYL-1-CYCLOHEXENE Chemical Properties

Melting point	-119.4°C
Boiling point	110-111 °C (lit.)
density	0.811 g/mL at 20 °C (lit.)
vapor pressure	27.4 at 20.2 °C, 36.4 at 25.0 °C (transpiration method, Verevkin et al., 2000)
refractive index	n20/D 1.45(lit.)
Fp	25 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Soluble in benzene and ether (Weast, 1986) and miscible with many hydrocarbons similar in chemical structure, e.g., cyclohexane, cyclohexene, etc.
form	Liquid
color	Clear colorless
Odor	at 1.00 % in dipropylene glycol. lime citrus
Odor Type	citrus
Water Solubility	52 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966)
BRN	1304483
Henry's Law Constant	8.86 x 10^-2 atm?m³/mol at 25 °C (approximate - calculated from water solubility and vapor pressure)
Stability:	Stable, but may be prone to polymerization. May be stabilized by the addition of around 10 ppm hydroquinone. Highly flammable. Incompatible with strong oxidizing agents.
InChIKey	CTMHWPIWNRWQEG-UHFFFAOYSA-N
LogP	3.333 (est)
CAS DataBase Reference	591-49-1(CAS DataBase Reference)
EPA Substance Registry System	Cyclohexene, 1-methyl- (591-49-1)

Safety Information

MSDS Information

1-METHYL-1-CYCLOHEXENE Usage And Synthesis

Chemical Properties	colourless liquid
Physical properties	Clear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic hydrocarbon-type odor.
Uses	1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) was used to study the secondary organic aerosol (SOA) yields from the ozonolysis of cycloalkenes.
Synthesis Reference(s)	The Journal of Organic Chemistry, 45, p. 917, 1980 DOI: 10.1021/jo01293a030
General Description	1-Methyl-1-cyclohexene (2,3,4,5-Tetrahydrotoluene) is a sterically hindered, unactivated alkene.
Environmental fate	Photolytic. Atkinson (1985) reported a rate constant of 9.45 x 10^-11 cm³/molecule?sec for the reaction of 1-methylcyclohexene with OH radicals in the atmosphere.
Purification Methods	Free it from hydroperoxides by passing through a column containing basic alumina or refluxing with cupric stearate, filter and fractionally distil it from sodium. [Vogel J Chem Soc 1332 1938, Cope et al. J Am Chem Soc 79 4729 1957, Beilstein 5 III 197, 5 VI 245.]

1-METHYL-1-CYCLOHEXENE Preparation Products And Raw materials

Raw materials	Methanone, (1-methylcyclohexyl)phenyl--->1,3-DIMETHYLCYCLOHEXENE-->1,2,3-TRIMETHYLCYCLOPENTENE-->3,5-DIMETHYLCYCLOPENTENE-->1,2-DIMETHYLCYCLOPENTENE-->1,5-DIMETHYLCYCLOPENTENE-->1,2-DIMETHYL CYCLOHEXENE-->3,3-dimethylcyclopentene-->1-ETHYL-1-CYCLOPENTENE-->METHYLENECYCLOHEXANE
Preparation Products	TRANS-2-METHYLCYCLOHEXANOL-->1-methyl-7-oxabicyclo[4.1.0]heptane

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