1-METHYL-1-CYCLOHEXENE

Synonym(s):2,3,4,5-Tetrahydrotoluene

CAS NO.：591-49-1
Empirical Formula: C7H12
Molecular Weight: 96.17
MDL number: MFCD00001548
EINECS: 209-718-0
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-26 11:30:52

What is 1-METHYL-1-CYCLOHEXENE?

Chemical properties

colourless liquid

Physical properties

Clear, colorless, very flammable, watery liquid with a characteristically unpleasant, aromatic hydrocarbon-type odor.

The Uses of 1-METHYL-1-CYCLOHEXENE

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.]

Properties of 1-METHYL-1-CYCLOHEXENE

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.)
Flash point:	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
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.
CAS DataBase Reference	591-49-1(CAS DataBase Reference)
EPA Substance Registry System	Cyclohexene, 1-methyl- (591-49-1)

Safety information for 1-METHYL-1-CYCLOHEXENE

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08
GHS Hazard Statements	H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.